![Chemical structure of 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, hydrochloride (1:1), (2S,3S)-, CAS 33286-22-5](https://api.angenesci.com/assets/img/none.png)
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| CAS Number | 33286-22-5 |
| Catalog Number | AG003PKA(AGN-PC-0R8U0I) |
| Chemical Name | 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, hydrochloride (1:1), (2S,3S)- |
| IUPAC Name | [(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride |
| InChI | InChI=1S/C22H26N2O4S.ClH/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;1H/t20-,21+;/m1./s1 |
| InChI Key | HDRXZJPWHTXQRI-BHDTVMLSSA-N |
| MDL Number | MFCD00069252 |
| Molecular Formula | C22H27ClN2O4S |
| Molecular Weight | 450.9788 |
| SMILES | O=C2[C@H](OC(C)=O)[C@H]([C@]3=CC=C(OC)C=C3)SC1=CC=CC=C1N2CCN(C)C.[H]Cl |
| UNII | OLH94387TE |
| Synonyms | Aldizem,
Cardil,
Cardizem,
CRD 401,
CRD-401,
CRD401,
Dilacor,
Dilacor XR,
Dilren,
Diltiazem,
Diltiazem Hydrochloride,
Diltiazem Malate,
Dilzem,
Tiazac,
Diltiazem hydrochloride,
Diltiazem HCl,
33286-22-5,
(+)-cis-Diltiazem hydrochloride,
Herbesser,
Dilzem,
Dilzene,
Lacerol,
Masdil,
Tildiem,
Tiazac,
Mono-Tildiem,
Bi-Tildiem,
Cardizem CD,
Cardizem LA,
CRD-401,
Dilzicardin,
Altiazem,
Anginyl,
Angitil,
Angizem,
Britiazim,
Calcicard,
Calnurs,
Cardiazem,
Cirilen,
Citizen,
Clarute,
Corazet,
Deltazen,
Diladel,
Dilatam,
Dilatame,
Dilcard,
Dilgard,
Dilicardin,
Dilpral,
Dilrene,
Diltahexal,
Diltelan,
Diltiasyn,
Diltikor,
Diltime,
Dinisor,
Dodexen,
Entrydil,
Farmabes,
Gadoserin,
Helsibon,
Incoril,
Kaltiazen,
Levozem,
Longazem,
Lytelsen,
Metazem,
Miocardie,
Oxycardil,
Pazeadin,
Pentilzeno,
Poltiazem,
Presoken,
Surazem,
Tilazem,
Trumsal,
Ziruvate,
Bruzem,
Carzem,
Diatal,
Dilfar,
Dilsal,
Diltam,
Diltan,
Doclis,
Dyalac,
Etizen,
Etyzen,
Herben,
Kardil,
Myonil,
Slozen,
Tiadil,
Tiaves,
Ubicor,
Zildem,
Carex,
Coras,
Dazil,
Dilem,
Dilso,
Hesor,
Tazem,
Hart,
Iski,
Altiazem Retard,
Apo-diltiazem,
Cardizem Retard,
Diltiazem Merck,
Diltiazem Stada,
Diltiazem Verla,
Diltiazem-Mepha,
Cardil Retard,
Dil-Sonaramia,
Diltiazem-Isis,
Dilzem Retard,
Dinisor Retard,
Myonil Retard,
Novo-Diltazem,
Syn-Diltiazem,
Tildiem Retard,
Dilthiazem hydrochloride,
Diltiazem Basics,
Diltiazem-Cophar,
Uni Masdil,
WL Diltiazem,
Altiazem RR,
Cardizem SR,
Diltiazem AWD,
Diltiazem GNR,
Diltiazem MSD,
Diltiazem-GRY,
Diltiazem Henning,
Diltiazem UPSA,
Cirilen AP,
Tildiem CR,
Tildiem LA,
Adizem-CD,
Cartia XT,
Diltan SR,
Diltiazem Eu Rho,
Dilzem RR,
Taztia XT,
Viazem SR,
Viazem XL,
Diltiazem (hydrochloride),
Herbesser 60,
Tilazem 90,
Herbesser 90 SR,
Adizem,
Cardil,
Dilren,
Diltiazem chloridrate,
Dilatam 120,
Tilazem AS 60,
Tilazem AS 90,
Dilzereal 90 Retard,
Herbesser 180 SR,
Angiotrofin,
Iski-90 SR,
UNII-OLH94387TE,
Dilacor,
Diltiazem, Hydrochloride,
Diltiazem HCl (Tiazac),
EINECS 251-443-3,
Dilacor XR Extended Release Capsules,
MFCD00069252,
C22H26N2O4S.HCl,
RG 83606,
MLS000028432,
OLH94387TE,
(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate hydrochloride,
RG 83606 HCl,
CHEBI:645509,
Tiazac XC,
SMR000058375,
N-Desmethyl Diltiazem Hydrochloride,
(+)-5-(2-(Dimethylamino)ethyl)-cis-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate (ester) monohydrochloride,
(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate hydrochloride,
(2S-cis)-3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride,
103532-26-9,
38411-61-9,
Diltiazem hydrochloride, 98%,
Dolizem,
Anzem,
Diacor,
Zilden,
Diltia XT,
Angiotrofin Retard,
Dilt-XR,
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-, monohydrochloride, cis-(+)-,
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (+)-cis-,
Dodexen A.P.,
Presokin A. P.,
MK-793,
Tiazac extended release,
SR-01000003042,
RG-83606,
Milptin,
Carzen,
Slozem,
(2R-trans)-Diltiazem Hydrochloride,
Cardizem;Tiazac,
DOV diltiazem,
Uni-Masdil,
Cardizem XL,
CRD 401,
Dodexen A.P,
Cardizem (TN),
Presokin A. P,
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate;hydrochloride,
Prestwick_176,
acetate hydrochloride,
Diltiazem hydrochloride [USAN:JAN],
EINECS 253-918-0,
Dilacor XR (TN),
Cartia XT (TN),
Diltiazem-HCl(Tiazac),
Opera_ID_79,
Diltiazem hydrochloride [USAN:USP:JAN],
Dilt-CD (TN),
(+)-5-(2-(dimethylamino)ethyl)-cis-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester monohydrochloride,
2-[(2S,3S)-3-(acetyloxy)-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]-N,N-dimethylethanaminium chloride,
AC1L1Y1J,
AC1Q3C2G,
AC1Q3EQ4,
CHEMBL1697,
Diltiazem Hydrochloride,(S),
SCHEMBL15457,
MLS001148257,
MLS002222179,
Jsp006114,
DTXSID8040147,
CTK8E8855,
SLV-324,
VEN-307,
HDRXZJPWHTXQRI-BHDTVMLSSA-N,
HMS1568K10,
(2S-trans)-Diltiazem Hydrochloride,
ACT02682,
BCP13814,
Tox21_500327,
BNP-32762,
Diltiazem hydrochloride (JP17/USP),
s1865,
(2S-?trans)?-diltiazem hydrochloride,
AKOS015961992,
CCG-220134,
CCG-221631,
CS-2339,
KS-5089,
LP00327,
NC00558,
NE54505,
tetrahydrobenzo[b][1,4]thiazepin-3-yl,
NCGC00093768-01,
NCGC00261012-01,
(2S,3S)-(+)-3-Acetoxy-2,3-dihydro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one Hydrochloride,
AC-15189,
AS-13703,
BC208729,
cis-(1)-3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride,
CPD000058375,
HY-14656,
LS-40513,
SAM002564204,
SC-18679,
(2S,3S)-5-(2-(dimethylamino)ethyl)-2,
AB2000340,
RT-014406,
D3662,
EU-0100327,
FT-0625017,
FT-0667217,
ST24046586,
ST50320016,
SW196487-3,
BIM-0050315.0001,
D 2521,
D00616,
J10138,
(+)-cis-Diltiazem hydrochloride, >=99% (HPLC),
286D225,
SR-01000075327,
J-019130,
SR-01000003042-2,
SR-01000003042-4,
SR-01000075327-1,
Diltiazem Hydrochloride 1.0 mg/ml in Acetonitrile (as free base),
Diltiazem hydrochloride, European Pharmacopoeia (EP) Reference Standard,
Diltiazem hydrochloride, United States Pharmacopeia (USP) Reference Standard,
Diltiazem for system suitability, European Pharmacopoeia (EP) Reference Standard,
(2S,3S)-(+)-cis-3-Acetoxy-5-(2-dimethylaminoethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride,
(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2H,3H-benzo[b]1,4 -thiazaperhydroepin-3-yl acetate, chloride,
(2S-cis)-3-(Acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one hydrochloride,
[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate hydrochloride,
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; hydrochloride,
cis-(+)-3-acetoxy-2,3-dihydro-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-1,5-benzothiazepine-4(5H)-one hydrochloride,
Diltiazem hydrochloride solution, 1.0 mg/mL in acetonitrile (as free base), ampule of 1 mL, certified reference material,
Cardizem,
Diltzac,
Dilcor,
Dilacor XR,
diltiazem,
Angipress,
Dilcardia,
Dilt-cd,
Dilzacard,
Anoheal,
Citizem,
Verelan,
Cormax,
Dicard,
Kaizem,
Bi-Teldiem,
Verelan PM,
Blocalcin 60,
Dilthiazemhydrochloride,
(+)-Diltiazem hydrochloride,
C22H26N2O4S.ClH,
d-cis-Diltiazem hydrochloride,
(S S)-Diltiazem hydrochloride,
CID62920,
C22-H26-N2-O4-S.Cl-H,
-(4-methoxyphenyl)-4-oxo-2,3,4,5-,
(2S 3S)-(+)-cis-Diltiazem hydrochloride,
B2089,
A10311,
130606-60-9,
42399-41-7,
(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)-, 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)-,
Cis-(+-)-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride,
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 | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 450.978g/mol |
| Monoisotopic Mass | 450.138g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H225-H302+H312+H332-H319-H302-H315-H312 |
| Packing Group | Ⅲ |
| Precautionary statements | P264-P270-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P210-P261-P302+P352+P312-P304+P340+P312-P337+P313-P403+P235-P301+P312+P330-P280h-P301+P312a-P321-P501a |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

