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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25NO3
Molecular Weight 351.4388
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2 .ALPHA.-TROPANYL BENZILATE

SMILES

CN1[C@H]2CC[C@@H]1[C@@H](CC2)OC(=O)C(O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=LSJGAYNIIMEDLR-XUVXKRRUSA-N
InChI=1S/C22H25NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18-,19+,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H25NO3
Molecular Weight 351.4388
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:30:15 GMT 2023
Edited
by admin
on Sat Dec 16 14:30:15 GMT 2023
Record UNII
RD1A447UC0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2 .ALPHA.-TROPANYL BENZILATE
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, (1R,2R,5S)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-2-YL ESTER
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-2-YL ESTER, (1R-ENDO)-
Systematic Name English
Code System Code Type Description
FDA UNII
RD1A447UC0
Created by admin on Sat Dec 16 14:30:15 GMT 2023 , Edited by admin on Sat Dec 16 14:30:15 GMT 2023
PRIMARY
PUBCHEM
163049
Created by admin on Sat Dec 16 14:30:15 GMT 2023 , Edited by admin on Sat Dec 16 14:30:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID70983033
Created by admin on Sat Dec 16 14:30:15 GMT 2023 , Edited by admin on Sat Dec 16 14:30:15 GMT 2023
PRIMARY
CAS
64471-12-1
Created by admin on Sat Dec 16 14:30:15 GMT 2023 , Edited by admin on Sat Dec 16 14:30:15 GMT 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED