Chemical identity

2'-Oxo Ifosfamide

CAS 119670-13-2 · C7H13Cl2N2O3P

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-02288
PubChem CID10923784
Name2'-Oxo Ifosfamide
CAS RN119670-13-2
Molecular formulaC7H13Cl2N2O3P
Molecular weight275.07 g/mol
IUPAC name2-chloro-1-(2-((2-chloroethyl)amino)-2-oxido-1,3,2-oxazaphosphinan-3-yl)ethan-1-one
InChIKeyKJRISYCCYWZCOF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 10923784
2D structure: 2'-Oxo Ifosfamide, CAS 119670-13-2
Structure of 2'-Oxo Ifosfamide (CAS 119670-13-2). LazyChem record. Source identity: PubChem CID 10923784. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC7H13Cl2N2O3P
InChIKeyKJRISYCCYWZCOF-UHFFFAOYSA-N
Ring count1
Defined stereocentres0
Unassigned stereocentres1
SMILESC1CN(P(=O)(OC1)NCCCl)C(=O)CCl
InChIInChI=1S/C7H13Cl2N2O3P/c8-2-3-10-15(13)11(7(12)6-9)4-1-5-14-15/h1-6H2,(H,10,13)

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 119670-13-2 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 119670-13-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ifosfamide

View API and impurity family

Other names

  • Ifosfamide Impurity 2
  • 3-(Chloroacetyl)-N-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-Oxide
  • 2'-Oxo ifosfamide
  • 3-(2-Chloroactyl)-2-[(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide
  • Ifosfamide Impurity 1
  • 2-Chloro-1-(2-((2-chloroethyl)amino)-2-oxido-1,3,2-oxazaphosphinan-3-yl)ethan-1-one
  • 2-chloro-1-[2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-3-yl]ethanone
  • 2-Chloro-1-(2-((2-chloroethyl)amino)dihydro-2-oxido-2H-1,3,2-oxazaphosphorin-3(4H)-yl)ethanone

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources