![Chemical structure of (2S,3S)-5-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate, CAS 42399-41-7](https://api.angenesci.com/assets/img/none.png)
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| CAS Number | 42399-41-7 |
| Catalog Number | AG01E75Y(AGN-PC-0WAIOD) |
| Chemical Name | (2S,3S)-5-(2-(Dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate |
| EC Number | 255-796-4 |
| IUPAC Name | [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate |
| InChI | InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 |
| InChI Key | HSUGRBWQSSZJOP-RTWAWAEBSA-N |
| MDL Number | MFCD00868239 |
| Molecular Formula | C22H26N2O4S |
| Molecular Weight | 414.5178 |
| SMILES | O=C1[C@@H]([C@@H](SC2=C(N1CCN(C)C)C=CC=C2)C3=CC=C(OC)C=C3)OC(C)=O |
| UNII | EE92BBP03H |
| Synonyms | Aldizem,
Cardil,
Cardizem,
CRD 401,
CRD-401,
CRD401,
Dilacor,
Dilacor XR,
Dilren,
Diltiazem,
Diltiazem Hydrochloride,
Diltiazem Malate,
Dilzem,
Tiazac,
diltiazem,
42399-41-7,
Cardizem,
d-cis-Diltiazem,
Anoheal,
Dilcontin,
Dilticard,
Endrydil,
Acalix,
Dilzen,
Dilta-Hexal,
Dilt-cd,
Incoril AP,
Diltiazemum,
Diltzac,
Tiamate,
Cardil,
Dilren,
Tiazac,
Dilacor,
Adizem,
Diltiazem [INN:BAN],
Dilacor-XR,
Diltiazemum [INN-Latin],
(+)-cis-diltiazem,
Diltiazen,
UNII-EE92BBP03H,
(+)-diltiazem,
HSDB 6528,
Tiazac XC,
CHEMBL23,
EINECS 255-796-4,
BRN 3573079,
EE92BBP03H,
CHEBI:101278,
HSUGRBWQSSZJOP-RTWAWAEBSA-N,
(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate,
[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate,
NCGC00024309-05,
Aldizem,
Citizem,
DSSTox_CID_2940,
DSSTox_RID_76797,
DSSTox_GSID_22940,
(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate,
Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester,
C22H26N2O4S,
Diltia,
Viazem,
Tiazac Tildiem,
Apo-Diltiaz,
Nu-Diltiaz,
Cardizen LA,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-,
Diltiazem (INN),
Surazem (TN),
CAS-42399-41-7,
Cardizem (Hydrochloride),
MK-793 (Malate),
RG-83606,
tetrahydrobenzo,
RG 83606 (Hydrochloride),
Diltiazem HCI,
D-(cis)-diltiazem,
Tocris-0685,
AC1Q6LHX,
Prestwick0_000134,
Prestwick1_000134,
Prestwick2_000134,
Prestwick3_000134,
Lopac0_000327,
SCHEMBL17776,
BSPBio_000208,
BSPBio_001311,
BIDD:GT0548,
SPBio_002147,
BPBio1_000230,
GTPL2298,
DTXSID9022940,
CTK8F9218,
Bio1_000371,
Bio1_000860,
Bio1_001349,
HMS1791B13,
HMS1989B13,
HMS2089H09,
ZINC621893,
[b][1,4]thiazepin-3-yl acetate,
AC1L2181,
Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester,
methoxyphenyl)-4-oxo-2,3,4,5-,
Tox21_110898,
AC-936,
BDBM50004704,
CD0163,
AKOS015897257,
Tox21_110898_1,
API0005791,
CCG-204422,
DB00343,
MCULE-9931403933,
VA10739,
NCGC00024309-02,
NCGC00024309-04,
NCGC00024309-06,
NCGC00024309-07,
NCGC00024309-08,
NCGC00024309-09,
NCGC00024309-10,
NCGC00024309-11,
NCGC00024309-17,
(+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester,
(2S,3S)-5-[2-(dimethylamino)ethyl]-2-[4-(methyloxy)phenyl]-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate,
(2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S,3S)-,
AN-15434,
BC204117,
LS-40510,
SC-16185,
FT-0081415,
FT-0625016,
C06958,
D07845,
(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-,
C-21975,
W-106274,
BRD-K24023109-001-02-5,
BRD-K24023109-003-03-9,
BRD-K24023109-003-11-2,
BRD-K24023109-003-20-3,
8-Chloro-1-methyl-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene,
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate,
5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester(Diltiazem)Acetic acid,
Acetic acid (S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester,
Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester (Diltiazem),
Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester(cis-(+)-Diltiazem),
Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester; hydrochloride,
cis-Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester,
diltiazem;Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester,
Dilzem,
Dilacor XR,
Diltiazem malate,
Diltiazem HCl,
Altiazem,
Britiazim,
Calcicard,
Deltazen,
Herbesser,
Anginyl,
Angizem,
Diladel,
Dilpral,
Dilrene,
Bruzem,
Cormax,
Masdil,
Cardizem LA,
Novo-Diltazem,
Syn-Diltiazem,
Diltiazem hydrochloride,
Dilicardin,
Diltahexal,
Dilzicardin,
Pentilzeno,
Angipress,
Cardiazem,
Cardizem CD,
Cardizem SR,
Dilatame,
Dilcardia,
Diltelan,
Diltiasyn,
Diltikor,
Dilzacard,
Entrydil,
Farmabes,
Gadoserin,
Helsibon,
Kaltiazen,
Longazem,
Lytelsen,
Miocardie,
Oxycardil,
Pazeadin,
Poltiazem,
Presoken,
Ziruvate,
Angitil,
Calnurs,
Cirilen,
Citizen,
Clarute,
Corazet,
Dilatam,
Dilcard,
Dilgard,
Diltime,
Dilzene,
Dinisor,
Dodexen,
Dolizem,
Incoril,
Lacerol,
Levozem,
Metazem,
Surazem,
Tilazem,
Tildiem,
Trumsal,
Carzem,
Diacor,
Diatal,
Dicard,
Dilcor,
Dilfar,
Dilsal,
Diltam,
Diltan,
Doclis,
Dyalac,
Etizen,
Etyzen,
Herben,
Kaizem,
Kardil,
Myonil,
Slozen,
Tiadil,
Tiaves,
Ubicor,
Zildem,
Zilden,
Anzem,
Carex,
Coras,
Dazil,
Dilem,
Dilso,
Hesor,
Tazem,
d-diltiazem,
Cartia XT,
Hart,
Iski,
Apo-diltiazem,
Altiazem Retard,
Cardizem Retard,
Diltiazem Merck,
Diltiazem Stada,
Diltiazem Verla,
Diltiazem-Mepha,
Diltiazem-Isis,
Dinisor Retard,
l-Diltiazem,
Tildiem Retard,
Cardil Retard,
Dil-Sonaramia,
Dilzem Retard,
Myonil Retard,
Not Available,
Mono-Tildiem,
Diltiazem Basics,
Diltiazem-Cophar,
Bi-Teldiem,
Bi-Tildiem,
Uni Masdil,
WL Diltiazem,
Altiazem RR,
Diltiazem AWD,
Diltiazem GNR,
Diltiazem MSD,
Diltiazem-GRY,
Diltiazem Henning,
Diltiazem UPSA,
Cirilen AP,
Tildiem CR,
Tildiem LA,
Adizem-CD,
Diltan SR,
Diltia XT,
Dilzem RR,
Taztia XT,
Viazem SR,
Viazem XL,
Diltiazem Eu Rho,
Angiotrofin Retard,
Blocalcin 60,
Herbesser 60,
Dilcardia (TN),
Dilt-XR,
Altiazem (TN),
Angiozem (TN),
Cardizem (TN),
Diltelan (TN),
Diltiazem HCl salt,
Vasmulax (TN),
Zemtrial (TN),
Herbesser 90 SR,
Tilazem 90,
Angizem (TN),
Dilatam (TN),
Dilatem (TN),
Diltime (TN),
Dodexen A.P.,
Filazem (TN),
Tiamate (TN),
Tildiem (TN),
Diltiazem chloridrate,
Presokin A. P.,
Adizem (TN),
Dilzem (TN),
Dyalec (TN),
Herben (TN),
Progor (TN),
Tiazac (TN),
Viazem (TN),
Zandil (TN),
Angizem CD (TN),
Dilatam 120,
TECZEM,
Tilazem AS 60,
Tilazem AS 90,
Cartia XT (TN),
Dilzereal 90 Retard,
Herbesser 180 SR,
Tiazac XC (TN),
Dilcontin SR (TN),
Tiazac extended release,
CRD-401,
Iski-90 SR,
Diltiazem malate [USAN],
D0OB1J,
(+)-Diltiazem hydrochloride,
UNII-OLH94387TE,
C22H26N2O4S.ClH,
d-cis-Diltiazem hydrochloride,
UNII-14Y6444DRP,
CRD 401,
(S S)-Diltiazem hydrochloride,
CRD401,
ACN-S002488,
C22H26N2O4S.C4H6O5,
CID39186,
Diltiazem hydrochloride [USAN:JAN],
EINECS 251-443-3,
C22-H26-N2-O4-S,
Dilacor XR Extended Release Capsules,
C22-H26-N2-O4-S.Cl-H,
Diltiazem hydrochloride [USAN:USP:JAN],
RG 83606,
(2S 3S)-(+)-cis-Diltiazem hydrochloride,
C22-H26-N2-O4-S.C4-H6-O5,
D004110,
144604-00-2,
(+)-5-(2-(Dimethylamino)ethyl)-cis-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate (ester) monohydrochloride,
(2S-cis)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride,
1 5-Benzothiazepin-4(5H)-one 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2 3-dihydro-2-(4-methoxyphenyl)-monohydrochloride (2S 3S)-(9CI),
1 5-Benzothiazepin-4(5H)-one 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2 3-dihydro-2-(4-methoxyphenyl)-monohydrochloride (2S-cis)-,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S-cis)-,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino) ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, cis-()-,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S,3S)-,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S-cis)-,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, cis-()-,
1,5-benzotiazepin-4(5h)-ona, 3-(acetiloxi)-5-[2-(dimetilamino)etil]-2,3-dihidro-2-(4-metoxifenil)-, clorhidrato (1:1), (2s,3s)-,
33286-22-5,
75472-92-3,
d-cis-3-Acetoxy-2 3-dihydro-5-[2-(dimethylamino)ethyl]-2-(p-methoxyphenyl)-1 5-benzothiazepin-4(5H)-one hydrochloride,
|
| Complexity | 565 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.52g/mol |
| Monoisotopic Mass | 414.161g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
| Symbol: | |
| Hazard statements | |
| Precautionary statements | |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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| Test: | Result: |

