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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H25NO4
Molecular Weight 331.4061
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYLBENZOYLECGONINE

SMILES

CCCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)N2C

InChI

InChIKey=VNLZTPINKMHMPX-VVLHAWIVSA-N
InChI=1S/C19H25NO4/c1-3-11-23-19(22)17-15-10-9-14(20(15)2)12-16(17)24-18(21)13-7-5-4-6-8-13/h4-8,14-17H,3,9-12H2,1-2H3/t14-,15+,16-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H25NO4
Molecular Weight 331.4061
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:59:22 GMT 2023
Edited
by admin
on Fri Dec 15 15:59:22 GMT 2023
Record UNII
YPLGCCI7MN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPYLBENZOYLECGONINE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, PROPYL ESTER, (1R-(EXO,EXO))-
Systematic Name English
BENZOYLECGONINE PROPYL ESTER
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, PROPYL ESTER, (1R,2R,3S,5S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70982586
Created by admin on Fri Dec 15 15:59:22 GMT 2023 , Edited by admin on Fri Dec 15 15:59:22 GMT 2023
PRIMARY
PUBCHEM
644016
Created by admin on Fri Dec 15 15:59:22 GMT 2023 , Edited by admin on Fri Dec 15 15:59:22 GMT 2023
PRIMARY
FDA UNII
YPLGCCI7MN
Created by admin on Fri Dec 15 15:59:22 GMT 2023 , Edited by admin on Fri Dec 15 15:59:22 GMT 2023
PRIMARY
CAS
64091-46-9
Created by admin on Fri Dec 15 15:59:22 GMT 2023 , Edited by admin on Fri Dec 15 15:59:22 GMT 2023
PRIMARY