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

Details

Stereochemistry ACHIRAL
Molecular Formula C41H58N2O4
Molecular Weight 642.9102
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PENTADECYL-1,2-PHENYLENE BIS(4-(4-AMINOPHENYL)BUTANOATE

SMILES

CCCCCCCCCCCCCCCC1=C(OC(=O)CCCC2=CC=C(N)C=C2)C(OC(=O)CCCC3=CC=C(N)C=C3)=CC=C1

InChI

InChIKey=VLRZIRYGLUVGGU-UHFFFAOYSA-N
InChI=1S/C41H58N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-35-21-17-22-38(46-39(44)23-15-18-33-25-29-36(42)30-26-33)41(35)47-40(45)24-16-19-34-27-31-37(43)32-28-34/h17,21-22,25-32H,2-16,18-20,23-24,42-43H2,1H3

HIDE SMILES / InChI

Molecular Formula C41H58N2O4
Molecular Weight 642.9102
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 14:55:31 GMT 2023
Edited
by admin
on Sat Dec 16 14:55:31 GMT 2023
Record UNII
LX6RQK5701
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PENTADECYL-1,2-PHENYLENE BIS(4-(4-AMINOPHENYL)BUTANOATE
Systematic Name English
BENZENEBUTANOIC ACID, 4-AMINO-, 1,1'-(3-PENTADECYL-1,2-PHENYLENE) ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
89683272
Created by admin on Sat Dec 16 14:55:32 GMT 2023 , Edited by admin on Sat Dec 16 14:55:32 GMT 2023
PRIMARY
CAS
2016046-95-8
Created by admin on Sat Dec 16 14:55:32 GMT 2023 , Edited by admin on Sat Dec 16 14:55:32 GMT 2023
PRIMARY
FDA UNII
LX6RQK5701
Created by admin on Sat Dec 16 14:55:32 GMT 2023 , Edited by admin on Sat Dec 16 14:55:32 GMT 2023
PRIMARY
Related Record Type Details
TARGET->DESENSITIZING AGENT
TARGET->DESENSITIZING AGENT
TARGET->DESENSITIZING AGENT
TARGET->DESENSITIZING AGENT
Related Record Type Details
ACTIVE MOIETY