PYROTINIB

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H31ClN6O3
Molecular Weight	583.08
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC1=C(NC(=O)\C=C\[C@H]2CCCN2C)C=C3C(=C1)N=CC(C#N)=C3NC4=CC=C(OCC5=NC=CC=C5)C(Cl)=C4

InChI

InChIKey=SADXACCFNXBCFY-IYNHSRRRSA-N

InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H31ClN6O3
Molecular Weight	583.08
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

C_max

Value	Dose	Co-administered	Analyte	Population
32.3 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28115222/	1.3 mg/kg single, oral dose: 1.3 mg/kg route of administration: Oral experiment type: SINGLE co-administered:		PYROTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED

AUC

Value	Dose	Co-administered	Analyte	Population
510 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28115222/	1.3 mg/kg single, oral dose: 1.3 mg/kg route of administration: Oral experiment type: SINGLE co-administered:		PYROTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED

T_1/2

Value	Dose	Co-administered	Analyte	Population
15 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28115222/	1.3 mg/kg single, oral dose: 1.3 mg/kg route of administration: Oral experiment type: SINGLE co-administered:		PYROTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED

F_unbound

Value	Dose	Co-administered	Analyte	Population
0.75% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28115222/	1.3 mg/kg single, oral dose: 1.3 mg/kg route of administration: Oral experiment type: SINGLE co-administered:		PYROTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:28:30 GMT 2025` Edited by `admin` on `Mon Mar 31 23:28:30 GMT 2025`
Record UNII	CJN36EQM0H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYROTINIB

Common Name

English

2-PROPENAMIDE, N-(4-((3-CHLORO-4-(2-PYRIDINYLMETHOXY)PHENYL)AMINO)-3-CYANO-7-ETHOXY-6-QUINOLINYL)-3-((2R)-1-METHYL-2-PYRROLIDINYL)-, (2E)-

Preferred Name

English

Pyrotinib [WHO-DD]

Common Name

English

SHR-1258

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C129825