Crizotinib acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22Cl2FN5O.C2H4O2
Molecular Weight	510.389
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.C[C@@H](OC1=CC(=CN=C1N)C2=CN(N=C2)C3CCNCC3)C4=C(Cl)C=CC(F)=C4Cl

InChI

InChIKey=LFCVDLCLKZRGFW-UTONKHPSSA-N

InChI=1S/C21H22Cl2FN5O.C2H4O2/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;1-2(3)4/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);1H3,(H,3,4)/t12-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H22Cl2FN5O
Molecular Weight	450.337
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:26:07 UTC 2023` Edited by `admin` on `Sat Dec 16 11:26:07 UTC 2023`
Record UNII	FB99MH8KWZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Crizotinib acetate

Common Name

English

[3-[[(R)-1-(2,6-Dichloro-3-fluorophenyl)ethyl]oxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-yl]amine monoacetate

Systematic Name

English

Acetic acid, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

Systematic Name

English

2-Pyridinamine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-, acetate (1:1)

Systematic Name

English

2-Pyridinamine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-, monoacetate

Systematic Name

English

Code System Code Type Description

PUBCHEM

67175389

Created by admin on Sat Dec 16 11:26:07 UTC 2023 , Edited by admin on Sat Dec 16 11:26:07 UTC 2023

PRIMARY

FDA UNII

FB99MH8KWZ

Created by admin on Sat Dec 16 11:26:07 UTC 2023 , Edited by admin on Sat Dec 16 11:26:07 UTC 2023

PRIMARY

CAS

877399-53-6

Created by admin on Sat Dec 16 11:26:07 UTC 2023 , Edited by admin on Sat Dec 16 11:26:07 UTC 2023

PRIMARY

EPA CompTox

DTXSID00236600

Created by admin on Sat Dec 16 11:26:07 UTC 2023 , Edited by admin on Sat Dec 16 11:26:07 UTC 2023

PRIMARY

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