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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C17H21NO4.H2O4S
Molecular Weight 704.784
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLAMINE SULFATE

SMILES

OS(O)(=O)=O.[H][C@@]12O[C@]1([H])[C@H]3C[C@H](C[C@@H]2N3C)OC(=O)[C@H](CO)C4=CC=CC=C4.[H][C@@]56O[C@]5([H])[C@H]7C[C@H](C[C@@H]6N7C)OC(=O)[C@H](CO)C8=CC=CC=C8

InChI

InChIKey=UULBEDNYEVWASY-SZKJRWIMSA-N
InChI=1S/2C17H21NO4.H2O4S/c2*1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;1-5(2,3)4/h2*2-6,11-16,19H,7-9H2,1H3;(H2,1,2,3,4)/t2*11-,12-,13-,14+,15-,16+;/m11./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SCOPOLAMINE SULFATE
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, 9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, (7(S)-(1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.))-, SULFATE (2:1) (SALT)
Common Name English
BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (1.ALPHA.,2.BETA.,4.BETA.,5.ALPHA.,7.BETA.)-9-METHYL-3-OXA-9-AZATRICYCLO(3.3.1.02,4)NON-7-YL ESTER, (.ALPHA.S)-, SULFATE (2:1)
Common Name English
SCOPOLAMINE SULPHATE
Common Name English
Code System Code Type Description
CAS
25333-70-4
Created by admin on Fri Dec 15 15:15:01 GMT 2023 , Edited by admin on Fri Dec 15 15:15:01 GMT 2023
PRIMARY
PUBCHEM
71587067
Created by admin on Fri Dec 15 15:15:01 GMT 2023 , Edited by admin on Fri Dec 15 15:15:01 GMT 2023
PRIMARY
FDA UNII
SU7QP314L1
Created by admin on Fri Dec 15 15:15:01 GMT 2023 , Edited by admin on Fri Dec 15 15:15:01 GMT 2023
PRIMARY