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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H24Cl2N2O7P2
Molecular Weight 417.16
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIS(3-((2-CHLOROETHYL)AMINO)PROPYL) DIHYDROGEN DIPHOSPHATE

SMILES

OP(=O)(OCCCNCCCl)OP(O)(=O)OCCCNCCCl

InChI

InChIKey=MXHIKWVFLYAVGY-UHFFFAOYSA-N
InChI=1S/C10H24Cl2N2O7P2/c11-3-7-13-5-1-9-19-22(15,16)21-23(17,18)20-10-2-6-14-8-4-12/h13-14H,1-10H2,(H,15,16)(H,17,18)

HIDE SMILES / InChI

Molecular Formula C10H24Cl2N2O7P2
Molecular Weight 417.16
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 18:27:22 GMT 2023
Edited
by admin
on Sat Dec 16 18:27:22 GMT 2023
Record UNII
SSH96NK47Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIS(3-((2-CHLOROETHYL)AMINO)PROPYL) DIHYDROGEN DIPHOSPHATE
Systematic Name English
IFOSFAMIDE IMPURITY B [EP IMPURITY]
Common Name English
DIPHOSPHORIC ACID, P,P'-BIS(3-((2-CHLOROETHYL)AMINO)PROPYL) ESTER
Systematic Name English
Code System Code Type Description
CAS
241482-18-8
Created by admin on Sat Dec 16 18:27:23 GMT 2023 , Edited by admin on Sat Dec 16 18:27:23 GMT 2023
PRIMARY
PUBCHEM
44319741
Created by admin on Sat Dec 16 18:27:23 GMT 2023 , Edited by admin on Sat Dec 16 18:27:23 GMT 2023
PRIMARY
FDA UNII
SSH96NK47Y
Created by admin on Sat Dec 16 18:27:23 GMT 2023 , Edited by admin on Sat Dec 16 18:27:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP