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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H25NO6.ClH
Molecular Weight 459.919
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLAMINE 4-HYDROXYBENZOATE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](COC(=O)C4=CC=C(O)C=C4)C5=CC=CC=C5

InChI

InChIKey=NDPHMTLRXUODHW-LLHIRTPOSA-N
InChI=1S/C24H25NO6.ClH/c1-25-19-11-17(12-20(25)22-21(19)31-22)30-24(28)18(14-5-3-2-4-6-14)13-29-23(27)15-7-9-16(26)10-8-15;/h2-10,17-22,26H,11-13H2,1H3;1H/t17-,18-,19-,20+,21-,22+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SCOPOLAMINE 4-HYDROXYBENZOATE HYDROCHLORIDE
Common Name English
SCOPOLAMINE P-HYDROXYBENZOATE HYDROCHLORIDE
Common Name English
BENZENEACETIC ACID, .ALPHA.-(((4-HYDROXYBENZOYL)OXY)METHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, HYDROCHLORIDE, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-
Systematic Name English
HYOSCINE P-HYDROXYBENZOATE HYDROCHLORIDE
Common Name English
Code System Code Type Description
CAS
101541-11-1
Created by admin on Fri Dec 15 15:14:57 GMT 2023 , Edited by admin on Fri Dec 15 15:14:57 GMT 2023
PRIMARY
FDA UNII
N4Y9HDY9JI
Created by admin on Fri Dec 15 15:14:57 GMT 2023 , Edited by admin on Fri Dec 15 15:14:57 GMT 2023
PRIMARY