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Details

Stereochemistry ACHIRAL
Molecular Formula C21H26ClNO3
Molecular Weight 375.889
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPYLBENZILYLCHOLINE MUSTARD

SMILES

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

InChI

InChIKey=ADUIJCCNUGTGDH-UHFFFAOYSA-N
InChI=1S/C21H26ClNO3/c1-2-14-23(15-13-22)16-17-26-20(24)21(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,25H,2,13-17H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H26ClNO3
Molecular Weight 375.889
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:25:26 GMT 2023
Edited
by admin
on Sat Dec 16 08:25:26 GMT 2023
Record UNII
0056KS5787
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPYLBENZILYLCHOLINE MUSTARD
Common Name English
BENZENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-PHENYL-, 2-((2-CHLOROETHYL)PROPYLAMINO)ETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
37396
Created by admin on Sat Dec 16 08:25:26 GMT 2023 , Edited by admin on Sat Dec 16 08:25:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID90189732
Created by admin on Sat Dec 16 08:25:26 GMT 2023 , Edited by admin on Sat Dec 16 08:25:26 GMT 2023
PRIMARY
CAS
36167-80-3
Created by admin on Sat Dec 16 08:25:26 GMT 2023 , Edited by admin on Sat Dec 16 08:25:26 GMT 2023
PRIMARY
FDA UNII
0056KS5787
Created by admin on Sat Dec 16 08:25:26 GMT 2023 , Edited by admin on Sat Dec 16 08:25:26 GMT 2023
PRIMARY