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

Details

Stereochemistry RACEMIC
Molecular Formula C9H13NO2
Molecular Weight 167.205
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECGONIDINE, (±)-

SMILES

[H][C@@]12CC[C@@]([H])(N1C)C(=CC2)C(O)=O

InChI

InChIKey=HZGRVVUQEIBCMS-HTRCEHHLSA-N
InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ECGONIDINE, (±)-
Common Name English
8-AZABICYCLO(3.2.1)OCT-2-ENE-2-CARBOXYLIC ACID, 8-METHYL-
Systematic Name English
(±)-ECGONIDINE
Common Name English
ECGONIDINE (±)-FORM [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00901169
Created by admin on Sat Dec 16 10:42:46 UTC 2023 , Edited by admin on Sat Dec 16 10:42:46 UTC 2023
PRIMARY
CAS
127379-23-1
Created by admin on Sat Dec 16 10:42:46 UTC 2023 , Edited by admin on Sat Dec 16 10:42:46 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
11564684
Created by admin on Sat Dec 16 10:42:46 UTC 2023 , Edited by admin on Sat Dec 16 10:42:46 UTC 2023
PRIMARY
FDA UNII
3B20GC4OUU
Created by admin on Sat Dec 16 10:42:46 UTC 2023 , Edited by admin on Sat Dec 16 10:42:46 UTC 2023
PRIMARY
MERCK INDEX
m4809
Created by admin on Sat Dec 16 10:42:46 UTC 2023 , Edited by admin on Sat Dec 16 10:42:46 UTC 2023
PRIMARY Merck Index