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Details

Stereochemistry UNKNOWN
Molecular Formula C27H32ClFN6O4S
Molecular Weight 591.097
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 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, (2R)-

SMILES

COC1=C(NC(=O)CC(CN2CCCCC2)SC[C@H](N)C(O)=O)C=C3C(NC4=CC=C(F)C(Cl)=C4)=NC=NC3=C1

InChI

InChIKey=JACXJKYDLZNKQS-LFABVHOISA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
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, (2R)-
Common Name English
L-CYSTEINE, S-(3-((4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXY-6-QUINAZOLINYL)AMINO)-3-OXO-1-(1-PIPERIDINYLMETHYL)PROPYL)-
Systematic Name English
(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
Systematic Name English
DACOMITINIB CYSTEINE CONJUGATE
Common Name English
DACOMITINIB METABOLITE M2
Common Name English
Code System Code Type Description
FDA UNII
SOA52D3NLL
Created by admin on Sat Dec 16 10:04:27 GMT 2023 , Edited by admin on Sat Dec 16 10:04:27 GMT 2023
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CAS
1262034-38-7
Created by admin on Sat Dec 16 10:04:27 GMT 2023 , Edited by admin on Sat Dec 16 10:04:27 GMT 2023
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PUBCHEM
119058027
Created by admin on Sat Dec 16 10:04:27 GMT 2023 , Edited by admin on Sat Dec 16 10:04:27 GMT 2023
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