Chemical identity

Des-6-[4-(2-hydroxyethyl)-1-piperazinyl]-6-chloro Dasatinib

CAS 910297-71-1 · C16H13Cl2N5O2S

01Identity

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

Lazychem IDLC-12043
PubChem CID25022897
NameDes-6-[4-(2-hydroxyethyl)-1-piperazinyl]-6-chloro Dasatinib
CAS RN910297-71-1
Molecular formulaC16H13Cl2N5O2S
Molecular weight410.27 g/mol
IUPAC nameN-[2-Chloro-6-(hydroxymethyl)phenyl]-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-5-thiazolecarboxamide
InChIKeyIFQFVJBGDUJCSG-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 25022897
2D structure: Des-6-[4-(2-hydroxyethyl)-1-piperazinyl]-6-chloro Dasatinib, CAS 910297-71-1
Structure of Des-6-[4-(2-hydroxyethyl)-1-piperazinyl]-6-chloro Dasatinib (CAS 910297-71-1). LazyChem record. Source identity: PubChem CID 25022897. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H13Cl2N5O2S
InChIKeyIFQFVJBGDUJCSG-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres0
SMILESCC1=NC(=CC(=N1)Cl)NC2=NC=C(S2)C(=O)NC3=C(C=CC=C3Cl)CO
InChIInChI=1S/C16H13Cl2N5O2S/c1-8-20-12(18)5-13(21-8)22-16-19-6-11(26-16)15(25)23-14-9(7-24)3-2-4-10(14)17/h2-6,24H,7H2,1H3,(H,23,25)(H,19,20,21,22)

03Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Des-6-[4-(2-hydroxyethyl)-1-piperazinyl]-6-chloro Dasatinib, CAS 910297-71-1
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

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 910297-71-1 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 910297-71-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Dasatinib

View API and impurity family

Other names

  • Dasatinib Impurity 13
  • N-[2-chloro-6-(hydroxymethyl)phenyl]-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
  • IFQFVJBGDUJCSG-UHFFFAOYSA-N
  • 2-((6-Chloro-2-methylpyrimidin-4-yl)amino)-N-(2-chloro-6-(hydroxymethyl)phenyl)thiazole-5-carboxamide
  • 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-[2-chloro-6-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
  • 5-Thiazolecarboxamide, N-[2-chloro-6-(hydroxymethyl)phenyl]-2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-

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