SAFRACIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N4O6
Molecular Weight	524.6086
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(C)C(=O)C2=C([C@H](CNC(=O)[C@H](C)N)N3C[C@@H]4CC5=C([C@H]([C@@H]3C2)N4C)C(O)=C(OC)C(C)=C5)C1=O

InChI

InChIKey=AZDDAJXLYMVMAW-FKTFMUQYSA-N

InChI=1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16-,18-,19-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H36N4O6
Molecular Weight	524.6086
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:46:05 GMT 2025` Edited by `admin` on `Mon Mar 31 22:46:05 GMT 2025`
Record UNII	22W88942A5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SAFRACIN A

Common Name

English

(2S)-2-AMINO-N-(((6S,9R,14AS,15R)-6,7,9,10,13,14,14A,15-OCTAHYDRO-1-HYDROXY-2,11-DIMETHOXY-3,12,16-TRIMETHYL-10,13-DIOXO-6,15-IMINO-5H-ISOQUINO(3,2-B)(3)BENZAZOCIN-9-YL)METHYL)PROPANAMIDE

Preferred Name

English

PROPANAMIDE, 2-AMINO-N-((6,7,9,10,13,14,14A,15-OCTAHYDRO-1-HYDROXY-2,11-DIMETHOXY-3,12,16-TRIMETHYL-10,13-DIOXO-6,15-IMINO-5H-ISOQUINO(3,2-B)(3)BENZAZOCIN-9-YL)METHYL)-, (6S-(6.ALPHA.,9.BETA.(R*),14A.ALPHA.,15.ALPHA.))-

Systematic Name

English

PROPANAMIDE, 2-AMINO-N-(((6S,9R,14AS,15R)-6,7,9,10,13,14,14A,15-OCTAHYDRO-1-HYDROXY-2,11-DIMETHOXY-3,12,16-TRIMETHYL-10,13-DIOXO-6,15-IMINO-5H-ISOQUINO(3,2-B)(3)BENZAZOCIN-9-YL)METHYL)-, (2S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

22W88942A5

Created by admin on Mon Mar 31 22:46:05 GMT 2025 , Edited by admin on Mon Mar 31 22:46:05 GMT 2025

PRIMARY

CAS

87578-98-1

Created by admin on Mon Mar 31 22:46:05 GMT 2025 , Edited by admin on Mon Mar 31 22:46:05 GMT 2025

PRIMARY

PUBCHEM

119025816

Created by admin on Mon Mar 31 22:46:05 GMT 2025 , Edited by admin on Mon Mar 31 22:46:05 GMT 2025

PRIMARY

EPA CompTox

DTXSID201007661

Created by admin on Mon Mar 31 22:46:05 GMT 2025 , Edited by admin on Mon Mar 31 22:46:05 GMT 2025

PRIMARY