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

Details

Stereochemistry RACEMIC
Molecular Formula C17H21NO4.BrH
Molecular Weight 384.265
Optical Activity ( + / - )
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLAMINE HYDROBROMIDE, (±)-

SMILES

Br.CN1[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@@H]23)OC(=O)C(CO)C4=CC=CC=C4

InChI

InChIKey=WTGQALLALWYDJH-XMCURJOZSA-N
InChI=1S/C17H21NO4.BrH/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+;

HIDE SMILES / InChI

Approval Year

Name Type Language
SCOPOLAMINE HYDROBROMIDE, (±)-
Common Name English
SCOPOLAMINE HYDROBROMIDE SALT
Common Name English
TROPAN-3-OL, 6,7-EPOXY-, TROPATE (ESTER), HYDROBROMIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20986312
Created by admin on Sat Dec 16 09:39:59 GMT 2023 , Edited by admin on Sat Dec 16 09:39:59 GMT 2023
PRIMARY
CAS
20368-51-8
Created by admin on Sat Dec 16 09:39:59 GMT 2023 , Edited by admin on Sat Dec 16 09:39:59 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
1BT935HYHI
Created by admin on Sat Dec 16 09:39:59 GMT 2023 , Edited by admin on Sat Dec 16 09:39:59 GMT 2023
PRIMARY
CAS
672-21-9
Created by admin on Sat Dec 16 09:39:59 GMT 2023 , Edited by admin on Sat Dec 16 09:39:59 GMT 2023
PRIMARY
PUBCHEM
51051761
Created by admin on Sat Dec 16 09:39:59 GMT 2023 , Edited by admin on Sat Dec 16 09:39:59 GMT 2023
PRIMARY