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Details

Stereochemistry MIXED
Molecular Formula C21H23BrN2O4
Molecular Weight 447.322
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 6A-BROMO-11A-CYANO-5,6A,7,7A,8,9,10,11A-OCTAHYDRO-7-(METHOXYCARBONYL)-6H-BENZO(G)PYRROLO(1,2-A)INDOLE-7-ACETATE

SMILES

COC(=O)CC1(C2CCCN2C3(C#N)C4=CC=CC=C4CCC13Br)C(=O)OC

InChI

InChIKey=SCRRUMWCLSMWJT-UHFFFAOYSA-N
InChI=1S/C21H23BrN2O4/c1-27-17(25)12-19(18(26)28-2)16-8-5-11-24(16)20(13-23)15-7-4-3-6-14(15)9-10-21(19,20)22/h3-4,6-7,16H,5,8-12H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
METHYL 6A-BROMO-11A-CYANO-5,6A,7,7A,8,9,10,11A-OCTAHYDRO-7-(METHOXYCARBONYL)-6H-BENZO(G)PYRROLO(1,2-A)INDOLE-7-ACETATE
Common Name English
NSC-348061
Code English
6H-BENZO(G)PYRROLO(1,2-A)INDOLE-7-ACETIC ACID, 6A-BROMO-11A-CYANO-5,6A,7,7A,8,9,10,11A-OCTAHYDRO-7-(METHOXYCARBONYL)-, METHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID801004089
Created by admin on Sat Dec 16 12:44:33 GMT 2023 , Edited by admin on Sat Dec 16 12:44:33 GMT 2023
PRIMARY
PUBCHEM
335900
Created by admin on Sat Dec 16 12:44:33 GMT 2023 , Edited by admin on Sat Dec 16 12:44:33 GMT 2023
PRIMARY
FDA UNII
8X9X80435V
Created by admin on Sat Dec 16 12:44:33 GMT 2023 , Edited by admin on Sat Dec 16 12:44:33 GMT 2023
PRIMARY
NSC
348061
Created by admin on Sat Dec 16 12:44:33 GMT 2023 , Edited by admin on Sat Dec 16 12:44:33 GMT 2023
PRIMARY
CAS
83927-37-1
Created by admin on Sat Dec 16 12:44:33 GMT 2023 , Edited by admin on Sat Dec 16 12:44:33 GMT 2023
PRIMARY
NIH
NCATS
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