Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Dacomitinib metabolite M2
RN: 1262034-38-7
UNII: SOA52D3NLL
InChIKey: JACXJKYDLZNKQS-LFABVHOISA-N

Molecular Formula

  • C27-H32-Cl-F-N6-O4-S

Molecular Weight

  • 591.1048
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Dacomitinib metabolite M2

Synonyms

  • (2R)-2-Amino-3-(3-((4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl)amino)-3-oxo-1-(1-piperidylmethyl)propyl)sulfanyl-propanoic acid
  • Dacomitinib cysteine conjugate
  • Dacomitinib metabolite M2
  • L-Cysteine, S-(3-((4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)amino)-3-oxo-1-(1-piperidinylmethyl)propyl)-
  • UNII-SOA52D3NLL

Registry Numbers

CAS Registry Number

  • 1262034-38-7

FDA UNII

  • SOA52D3NLL

System Generated Number

  • 1262034387

Structure Descriptors

InChI

1S/C27H32ClFN6O4S/c1-39-24-12-22-18(26(32-15-31-22)33-16-5-6-20(29)19(28)9-16)11-23(24)34-25(36)10-17(40-14-21(30)27(37)38)13-35-7-3-2-4-8-35/h5-6,9,11-12,15,17,21H,2-4,7-8,10,13-14,30H2,1H3,(H,34,36)(H,37,38)(H,31,32,33)/t17?,21-/m0/s1

InChIKey

JACXJKYDLZNKQS-LFABVHOISA-N

Smiles

COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CC(CN4CCCCC4)SC[C@H](N)C(=O)O