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Details

Stereochemistry RACEMIC
Molecular Formula C10H15NO3
Molecular Weight 197.231
Optical Activity ( + / - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLINE ACETATE

SMILES

[H][C@@]12C[C@@H]3C[C@@H]([C@H](OC(C)=O)[C@@]1([H])O3)N2C

InChI

InChIKey=JKPDCRQKGCESPY-CIQUZCHMSA-N
InChI=1S/C10H15NO3/c1-5(12)13-9-7-3-6-4-8(11(7)2)10(9)14-6/h6-10H,3-4H2,1-2H3/t6-,7-,8+,9-,10-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SCOPOLINE ACETATE
MI  
Common Name English
SCOPOLINE ACETATE [MI]
Common Name English
2,5-METHANO-2H-FURO(3,2-B)PYRROL-6-OL, HEXAHYDRO-4-METHYL-, (2R,3AS,5R,6R,6AR)-REL-, ACETATE
Systematic Name English
REL-(2R,3AS,5R,6R,6AR)-HEXAHYDRO-4-METHYL-2,5-METHANO-2H-FURO(3,2-B)PYRROL-6-OL, ACETATE
Systematic Name English
2,5-METHANO-2H-FURO(3,2-B)PYRROL-6-OL, HEXAHYDRO-4-METHYL-, ACETATE (ESTER), (2.ALPHA.,3A.BETA.,5.ALPHA.,6.BETA.,6A.BETA.)-
Systematic Name English
Code System Code Type Description
CAS
109451-65-2
Created by admin on Sat Dec 16 10:00:19 GMT 2023 , Edited by admin on Sat Dec 16 10:00:19 GMT 2023
PRIMARY
FDA UNII
BT6TG7M91M
Created by admin on Sat Dec 16 10:00:19 GMT 2023 , Edited by admin on Sat Dec 16 10:00:19 GMT 2023
PRIMARY
PUBCHEM
45091605
Created by admin on Sat Dec 16 10:00:19 GMT 2023 , Edited by admin on Sat Dec 16 10:00:19 GMT 2023
PRIMARY
MERCK INDEX
m9817
Created by admin on Sat Dec 16 10:00:19 GMT 2023 , Edited by admin on Sat Dec 16 10:00:19 GMT 2023
PRIMARY Merck Index