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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H29NO3.ClH
Molecular Weight 403.942
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZETHIDINE HYDROCHLORIDE

SMILES

Cl.CCOC(=O)C1(CCN(CCOCC2=CC=CC=C2)CC1)C3=CC=CC=C3

InChI

InChIKey=WNRIZWBOQUBLME-UHFFFAOYSA-N
InChI=1S/C23H29NO3.ClH/c1-2-27-22(25)23(21-11-7-4-8-12-21)13-15-24(16-14-23)17-18-26-19-20-9-5-3-6-10-20;/h3-12H,2,13-19H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C23H29NO3
Molecular Weight 367.4813
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:51:23 GMT 2023
Edited
by admin
on Sat Dec 16 11:51:23 GMT 2023
Record UNII
Y38VTD3O01
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZETHIDINE HYDROCHLORIDE
Common Name English
4-PIPERIDINECARBOXYLIC ACID, 4-PHENYL-1-(2-(PHENYLMETHOXY)ETHYL)-, ETHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1071541-30-4
Created by admin on Sat Dec 16 11:51:24 GMT 2023 , Edited by admin on Sat Dec 16 11:51:24 GMT 2023
PRIMARY
FDA UNII
Y38VTD3O01
Created by admin on Sat Dec 16 11:51:24 GMT 2023 , Edited by admin on Sat Dec 16 11:51:24 GMT 2023
PRIMARY
PUBCHEM
154926051
Created by admin on Sat Dec 16 11:51:24 GMT 2023 , Edited by admin on Sat Dec 16 11:51:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
APPROXIMATE PURE ANHYDROUS DRUG CONTENT (IN PERCENT)