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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO4.ClH
Molecular Weight 339.814
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOCOCAINE HYDROCHLORIDE

SMILES

Cl.COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)N2C

InChI

InChIKey=PIQVDUKEQYOJNR-UOIZBMALSA-N
InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H21NO4
Molecular Weight 303.3529
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 Sat Dec 16 08:18:30 GMT 2023
Edited
by admin
on Sat Dec 16 08:18:30 GMT 2023
Record UNII
EKC5FB482J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSEUDOCOCAINE HYDROCHLORIDE
MI  
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, HYDROCHLORIDE (1:1), (1R,2S,3S,5S)-
Systematic Name English
(+)-PSEUDOCOCAINE HYDROCHLORIDE
Common Name English
PSEUDOCOCAINE HYDROCHLORIDE [MI]
Common Name English
D-.PSI.-COCAINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
CAS
6363-57-1
Created by admin on Sat Dec 16 08:18:30 GMT 2023 , Edited by admin on Sat Dec 16 08:18:30 GMT 2023
PRIMARY
MERCK INDEX
m9290
Created by admin on Sat Dec 16 08:18:30 GMT 2023 , Edited by admin on Sat Dec 16 08:18:30 GMT 2023
PRIMARY Merck Index
PUBCHEM
73425429
Created by admin on Sat Dec 16 08:18:30 GMT 2023 , Edited by admin on Sat Dec 16 08:18:30 GMT 2023
PRIMARY
FDA UNII
EKC5FB482J
Created by admin on Sat Dec 16 08:18:30 GMT 2023 , Edited by admin on Sat Dec 16 08:18:30 GMT 2023
PRIMARY