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Details

Stereochemistry ACHIRAL
Molecular Formula C19H22ClNO3
Molecular Weight 347.836
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZILYLCHOLINE MUSTARD

SMILES

CN(CCCl)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=QMMKHOXGBKDMKE-UHFFFAOYSA-N
InChI=1S/C19H22ClNO3/c1-21(13-12-20)14-15-24-18(22)19(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,23H,12-15H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
BENZILYLCHOLINE MUSTARD
Common Name English
BENZENEACETIC ACID, ALPHA-HYDROXY-ALPHA-PHENYL-, 2-((2-CHLOROETHYL)METHYLAMINO)ETHYL ESTER
Systematic Name English
BENZILIC ACID, 2-((2-CHLOROETHYL)METHYLAMINO)ETHYL ESTER
Systematic Name English
ETHANOL, 2-((2-CHLOROETHYL)METHYLAMINO)-, BENZILATE (ESTER)
Systematic Name English
2((2-CHLOROETHYL)METHYLAMINO)ETHYLBENZYLATE
Systematic Name English
Code System Code Type Description
CAS
5746-42-9
Created by admin on Sat Dec 16 17:01:55 GMT 2023 , Edited by admin on Sat Dec 16 17:01:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID50206070
Created by admin on Sat Dec 16 17:01:55 GMT 2023 , Edited by admin on Sat Dec 16 17:01:55 GMT 2023
PRIMARY
WIKIPEDIA
Benzilylcholine mustard
Created by admin on Sat Dec 16 17:01:55 GMT 2023 , Edited by admin on Sat Dec 16 17:01:55 GMT 2023
PRIMARY
FDA UNII
3KYG5U8PYV
Created by admin on Sat Dec 16 17:01:55 GMT 2023 , Edited by admin on Sat Dec 16 17:01:55 GMT 2023
PRIMARY
PUBCHEM
6453495
Created by admin on Sat Dec 16 17:01:55 GMT 2023 , Edited by admin on Sat Dec 16 17:01:55 GMT 2023
PRIMARY
NIH
NCATS
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