U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28N2O5
Molecular Weight 400.4681
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISORESERPIC ACID

SMILES

[H][C@]12C[C@@H](O)[C@H](OC)[C@@H](C(O)=O)[C@@]1([H])C[C@]3([H])N(CCC4=C3NC5=C4C=CC(OC)=C5)C2

InChI

InChIKey=JVHNBFFHWQQPLL-PWEWJQQHSA-N
InChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)/t11-,15+,17+,18-,19+,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISORESERPIC ACID
Common Name English
YOHIMBAN-16-CARBOXYLIC ACID, 18-HYDROXY-11,17-DIMETHOXY-, (16.BETA.,17.ALPHA.,18.BETA.,20.ALPHA.)-
Systematic Name English
20.ALPHA.-YOHIMBAN-16.BETA.-CARBOXYLIC ACID, 18.BETA.-HYDROXY-11,17.ALPHA.-DIMETHOXY-
Systematic Name English
3-ISORESERPIC ACID
Common Name English
3-EPIRESERPIC ACID
Common Name English
Code System Code Type Description
CAS
481-65-2
Created by admin on Sat Dec 16 18:20:59 GMT 2023 , Edited by admin on Sat Dec 16 18:20:59 GMT 2023
PRIMARY
FDA UNII
AF3SUY58WL
Created by admin on Sat Dec 16 18:20:59 GMT 2023 , Edited by admin on Sat Dec 16 18:20:59 GMT 2023
PRIMARY
PUBCHEM
12304348
Created by admin on Sat Dec 16 18:20:59 GMT 2023 , Edited by admin on Sat Dec 16 18:20:59 GMT 2023
PRIMARY