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| CAS Number | 128-62-1 |
| Catalog Number | AG007O3K(AGN-PC-0PITJG) |
| Chemical Name | Noscapine |
| EC Number | 204-899-2 |
| IUPAC Name | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one |
| InChI | InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 |
| InChI Key | AKNNEGZIBPJZJG-MSOLQXFVSA-N |
| MDL Number | MFCD00069316 |
| Molecular Formula | C22H23NO7 |
| Molecular Weight | 413.4205 |
| SMILES | CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)OC)OC)OC)OCO3 |
| UNII | 8V32U4AOQU |
| Synonyms | Capval,
Capval Tropfen,
Embonate, Noscapine Hydrogen,
Hydrochloride, Noscapine,
Hydrogen Embonate, Noscapine,
Librochin prikkelhoest,
Narcotine,
Noscapect,
Noscapine,
Noscapine Hydrochloride,
Noscapine Hydrogen Embonate,
prikkelhoest, Librochin,
Tropfen, Capval,
Tuscalman,
noscapine,
128-62-1,
Tusscapine,
Terbenol,
Capval,
NARCOTINE,
Coscopin,
Narcompren,
Narcosine,
Vadebex,
Methoxyhydrastine,
Narcotin,
Noscapalin,
Noscapin,
Opianine,
Opianin,
Narcotussin,
Longatin,
Narkotin,
Nectadon,
Nicolane,
Nipaxon,
Lyobex,
Opian,
O-Methylnarcotoline,
(-)-Narcotine,
Coscotabs,
alpha-Narcotine,
Key-tusscapine,
Noscapal,
Noscapina,
Noscapinum,
Hederix (free base),
L-alpha-Narcotine,
(-)-alpha-narcotine,
Noscopine,
UNII-8V32U4AOQU,
NSC 5366,
.alpha.-Narcotine,
Gnoscopine,
Longactin,
L-.alpha.-Narcotine,
NSC-5366,
8V32U4AOQU,
Noskapin,
dl-Narcotine,
alpha-Gnoscopine,
CHEBI:73237,
Noscapine dl-form,
NSC5366,
AKNNEGZIBPJZJG-MSOLQXFVSA-N,
L-alpha-Noscapine,
8-Methoxyhydrastin,
Coscopin (VAN),
(S,R)-Noscapine,
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one,
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one,
(-)-alpha-Norcotine,
Noscapinum [INN-Latin],
Noscapina [INN-Spanish],
DSSTox_CID_3385,
DSSTox_RID_77007,
DSSTox_GSID_23385,
(S)-6,7-dimethoxy-3-((R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuran-1(3H)-one,
HSDB 3372,
Narcotine alkaloid,
EINECS 204-899-2,
NSC 96350,
BRN 0099933,
Narcotine, (+-)-,
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one,
[S-(R*,S*)]-6,7-Dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-Isobenzofuranone,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)-isoquinolin-5-yl), (S-(R*,S*))-,
SMR000059119,
(+-)-Noscapine,
(-)-.alpha.-Norcotine,
(+-)-alpha-Narcotine,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (S-(R*,S*))-,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-,
6035-40-1,
Anarkotin,
CCRIS 9304,
Noscapine [USP:INN:BAN:JAN],
.beta.-Narcotine,
(-)-3-(2-Methyl-6,7-methylendioxy-8-methoxy-1-isochinolyl)-6,7-dimethoxyphthalid,
1-alpha-Narcotine,
Noscapine (TN),
(-)-noscapine,
NCGC00016388-01,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-rel-,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R*,S*)-,
5-(6,7-Dimethoxyphthalidyl)-5,6,7,8-tetrahydro-4-methoxy-8-methyl-1,3-dioxolo(4,5-g)isoquinoline,
CAS-128-62-1,
L-alpha-2-Methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinaline,
Narcotine (8CI),
Prestwick_959,
(-)-a-Narcotine,
1-.alpha.-Narcotine,
(-)-|A-Narcotine,
Tocris-1697,
Prestwick0_000563,
Prestwick1_000563,
Prestwick2_000563,
Prestwick3_000563,
(-)-.alpha.-Narcotine,
CBMicro_048259,
AC1L5H7B,
SCHEMBL4559,
(S,R)-Noscapine, 97%,
Lopac0_000840,
BSPBio_000346,
4-27-00-06838 (Beilstein Handbook Reference),
MLS000069475,
MLS001060855,
ARONIS24067,
SPBio_002565,
Noscapine (JP15/USP/INN),
Noscapine (JP17/USP/INN),
BPBio1_000382,
CHEMBL364713,
DTXSID4023385,
GTPL10212,
BBC/205,
HMS1569B08,
HMS2096B08,
HMS2269P05,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-((5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (3S)-,
6,7-Dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one, (S-(R*,S*))- #,
Phthalide, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-,
Tox21_110413,
BBL012344,
BDBM50424716,
MFCD00069316,
NSC121869,
STK054401,
ZINC19418974,
Noscapine 1.0 mg/ml in Acetonitrile,
AKOS000278036,
Tox21_110413_1,
API0003636,
CCG-204096,
CS-5115,
MCULE-5334942206,
NSC-121869,
NCGC00023230-02,
NCGC00023230-04,
NCGC00023230-05,
NCGC00023230-07,
NCGC00023230-08,
NCGC00023230-10,
AC-20272,
CC-33083,
HY-13716,
NCI60_004322,
BIM-0048054.P001,
H2069,
C09592,
D01036,
A805851,
C-21952,
SR-01000075529-6,
W-201012,
5-g)isoquinolin-5-yl)-,(s-(r*,s*))-3-dioxolo(4,
5-g]isoquinolin-5-yl)-,[s-(theta,s)]-3-dioxolo[4,
BRD-K89237706-001-03-8,
Noscapine, European Pharmacopoeia (EP) Reference Standard,
UNII-A4C6WE7BZN component AKNNEGZIBPJZJG-MSOLQXFVSA-N,
Noscapine, United States Pharmacopeia (USP) Reference Standard,
WLN: T C566 DO FO KN EH & & TJ HO1 K1 J-DT56 BVO DHJ HO1 IO1,
6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1(3h)-isobenzofuranon,
(3S)-3-[(5R)-6-methyl-4-(methyloxy)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-bis(methyloxy)-2-benzofuran-1(3H)-one,
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one,
(3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R*,S*)-(+-)-,
1(3H)-Isobenzofuranone,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [S-(R*,S*)]-,
Phthalide,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-,
Noscapect,
Tuscalman,
Noscapine base,
Capval Tropfen,
Noscapine HCl,
Tropfen, Capval,
methoxyhydra-stine,
|A-Narcotine,
Noscapine hydrchloride,
Noscapine hydrochloride,
( -)-Noscapine,
( -)-alpha-Narcotine,
Librochin prikkelhoest,
prikkelhoest, Librochin,
UNII-A4C6WE7BZN,
Hydrochloride, Noscapine,
Narcotine, (.+.)-,
A4C6WE7BZN,
D0Y8AW,
Noscapine Hydrogen Embonate,
Embonate, Noscapine Hydrogen,
Hydrogen Embonate, Noscapine,
Noscapine [BAN:INN:JAN],
Noscapine [INN:BAN:JAN],
,2,3,4-tetrahydroisoquinaline,
C22H23NO7,
C22-H23-N-O7,
CB3304,
CID275196,
CS-T-37643,
D009665,
SR-01000075529,
6,7-Dimethoxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-benzofuran-1(3H)-one,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8- tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin -5-yl)-, [S-(R,S)]-,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, (R*,S*)-(.+.)-,
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (3S)-,
|
| Complexity | 647 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 413.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 413.426g/mol |
| Monoisotopic Mass | 413.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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