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Details

Stereochemistry RACEMIC
Molecular Formula C19H22Cl2N2O3
Molecular Weight 397.296
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENTYRIN

SMILES

NC(CC1=CC=C(OC2=CC=C(C=C2)N(CCCl)CCCl)C=C1)C(O)=O

InChI

InChIKey=IDJLCKJFVNGXOP-UHFFFAOYSA-N
InChI=1S/C19H22Cl2N2O3/c20-9-11-23(12-10-21)15-3-7-17(8-4-15)26-16-5-1-14(2-6-16)13-18(22)19(24)25/h1-8,18H,9-13,22H2,(H,24,25)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
PHENTYRIN
Common Name English
FENTIRIN
Preferred Name English
4-(4-BIS(2-CHLOROETHYL)AMINOPHENOXY)PHENYLALANINE
Systematic Name English
DL-TYROSINE, O-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-
Systematic Name English
ALANINE, 3-(P-(P-(BIS(2-CHLOROETHYL)AMINO)PHENOXY)PHENYL)-, DL-
Systematic Name English
Code System Code Type Description
PUBCHEM
13334
Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025
PRIMARY
FDA UNII
K0U76Q07UI
Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID701006294
Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025
PRIMARY
CAS
857-95-4
Created by admin on Mon Mar 31 22:13:35 GMT 2025 , Edited by admin on Mon Mar 31 22:13:35 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of PHENTYRIN
NIH
NCATS
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