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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N5O4P
Molecular Weight 325.2603
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[Bis(1-aziridinyl)phosphinyl]-N′-(4-methyl-3-nitrophenyl)urea

SMILES

CC1=CC=C(NC(=O)N[P+]([O-])(N2CC2)N3CC3)C=C1[N+]([O-])=O

InChI

InChIKey=IIAHPYJYKLTXHY-UHFFFAOYSA-N
InChI=1S/C12H16N5O4P/c1-9-2-3-10(8-11(9)17(19)20)13-12(18)14-22(21,15-4-5-15)16-6-7-16/h2-3,8H,4-7H2,1H3,(H2,13,14,18,21)

HIDE SMILES / InChI

Molecular Formula C12H16N5O4P
Molecular Weight 325.2603
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 Fri Dec 15 18:29:11 GMT 2023
Edited
by admin
on Fri Dec 15 18:29:11 GMT 2023
Record UNII
ASR4DV7HF8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[Bis(1-aziridinyl)phosphinyl]-N′-(4-methyl-3-nitrophenyl)urea
Systematic Name English
Bis(1-aziridinyl)phosphinyl)-3-(3-nitro-p-tolyl)-urea, 1-(
Common Name English
Urea, N-[bis(1-aziridinyl)phosphinyl]-N′-(4-methyl-3-nitrophenyl)-
Systematic Name English
1-[Bis(aziridin-1-yl)phosphoryl]-3-(4-methyl-3-nitrophenyl)urea
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00180316
Created by admin on Fri Dec 15 18:29:11 GMT 2023 , Edited by admin on Fri Dec 15 18:29:11 GMT 2023
PRIMARY
FDA UNII
ASR4DV7HF8
Created by admin on Fri Dec 15 18:29:11 GMT 2023 , Edited by admin on Fri Dec 15 18:29:11 GMT 2023
PRIMARY
PUBCHEM
135737
Created by admin on Fri Dec 15 18:29:11 GMT 2023 , Edited by admin on Fri Dec 15 18:29:11 GMT 2023
PRIMARY
CAS
25635-65-8
Created by admin on Fri Dec 15 18:29:11 GMT 2023 , Edited by admin on Fri Dec 15 18:29:11 GMT 2023
PRIMARY