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Details

Stereochemistry RACEMIC
Molecular Formula C23H29NO3.BrH
Molecular Weight 448.393
Optical Activity ( + / - )
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZETHIDINE HYDROBROMIDE

SMILES

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

InChI

InChIKey=CPEIQAXBGPGICQ-UHFFFAOYSA-N
InChI=1S/C23H29NO3.BrH/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 BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:51:22 UTC 2023
Edited
by admin
on Sat Dec 16 11:51:22 UTC 2023
Record UNII
D86V1SX1U7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZETHIDINE HYDROBROMIDE
Common Name English
4-PIPERIDINECARBOXYLIC ACID, 4-PHENYL-1-(2-(PHENYLMETHOXY)ETHYL)-, ETHYL ESTER, HYDROBROMIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30420898
Created by admin on Sat Dec 16 11:51:23 UTC 2023 , Edited by admin on Sat Dec 16 11:51:23 UTC 2023
PRIMARY
FDA UNII
D86V1SX1U7
Created by admin on Sat Dec 16 11:51:23 UTC 2023 , Edited by admin on Sat Dec 16 11:51:23 UTC 2023
PRIMARY
PUBCHEM
5744992
Created by admin on Sat Dec 16 11:51:23 UTC 2023 , Edited by admin on Sat Dec 16 11:51:23 UTC 2023
PRIMARY
CAS
1049728-53-1
Created by admin on Sat Dec 16 11:51:23 UTC 2023 , Edited by admin on Sat Dec 16 11:51:23 UTC 2023
PRIMARY
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