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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO4.ClH
Molecular Weight 339.814
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLAMINE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](CO)C4=CC=CC=C4

InChI

InChIKey=KXPXJGYSEPEXMF-MOUKNHLCSA-N
InChI=1S/C17H21NO4.ClH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SCOPOLAMINE HYDROCHLORIDE
MI  
Common Name English
SCOPOLAMINE HYDROCHLORIDE [MI]
Common Name English
HYOSCINE HYDROCHLORIDE
WHO-DD  
Common Name English
SCOPOLAMINE, HYDROCHLORIDE
Common Name English
6.BETA.,7.BETA.-EPOXY-1.ALPHA.H,5.ALPHA.H-TROPAN-3.ALPHA.-OL (-)-TROPATE (ESTER) HYDROCHLORIDE
Common Name English
Hyoscine hydrochloride [WHO-DD]
Common Name English
BENZENEACETIC ACID, ALPHA-(HYDROXYMETHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.0(SUP 2,4))NON-7-YL ESTER, HYDROCHLORIDE, (7(S)-(1-.ALPHA.,2-.BETA.,4-.BETA.,5-.ALPHA.,7-.BETA.))-
Common Name English
Code System Code Type Description
SMS_ID
100000077607
Created by admin on Fri Dec 15 19:43:44 UTC 2023 , Edited by admin on Fri Dec 15 19:43:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID6044692
Created by admin on Fri Dec 15 19:43:44 UTC 2023 , Edited by admin on Fri Dec 15 19:43:44 UTC 2023
PRIMARY
EVMPD
SUB14156MIG
Created by admin on Fri Dec 15 19:43:44 UTC 2023 , Edited by admin on Fri Dec 15 19:43:44 UTC 2023
PRIMARY
FDA UNII
Q2P66EIP1F
Created by admin on Fri Dec 15 19:43:44 UTC 2023 , Edited by admin on Fri Dec 15 19:43:44 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-225-6
Created by admin on Fri Dec 15 19:43:44 UTC 2023 , Edited by admin on Fri Dec 15 19:43:44 UTC 2023
PRIMARY
EVMPD
SUB15207MIG
Created by admin on Fri Dec 15 19:43:44 UTC 2023 , Edited by admin on Fri Dec 15 19:43:44 UTC 2023
PRIMARY
MERCK INDEX
m9813
Created by admin on Fri Dec 15 19:43:44 UTC 2023 , Edited by admin on Fri Dec 15 19:43:44 UTC 2023
PRIMARY Merck Index
CAS
55-16-3
Created by admin on Fri Dec 15 19:43:44 UTC 2023 , Edited by admin on Fri Dec 15 19:43:44 UTC 2023
PRIMARY