Vamotinib mesylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H27F3N6O.CH4O3S
Molecular Weight	628.665
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CN1CCN(CC2=C(C=C(NC(=O)C3=CC=C(C)C(=C3)C#CC4=NN=C5C=CC=CN45)C=C2)C(F)(F)F)CC1

InChI

InChIKey=CCNAIKOABJPEAN-UHFFFAOYSA-N

InChI=1S/C29H27F3N6O.CH4O3S/c1-20-6-7-22(17-21(20)9-11-27-35-34-26-5-3-4-12-38(26)27)28(39)33-24-10-8-23(25(18-24)29(30,31)32)19-37-15-13-36(2)14-16-37;1-5(2,3)4/h3-8,10,12,17-18H,13-16,19H2,1-2H3,(H,33,39);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C29H27F3N6O
Molecular Weight	532.5595
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:20:07 UTC 2023` Edited by `admin` on `Sat Dec 16 18:20:07 UTC 2023`
Record UNII	372ZE79K3S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Vamotinib mesylate

Common Name

English

PF-114 MESILATE

Common Name

English

BENZAMIDE, 4-METHYL-N-(4-((4-METHYL-1-PIPERAZINYL)METHYL)-3-(TRIFLUOROMETHYL)PHENYL)-3-(2-(1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3-YL)ETHYNYL)-, COMPD. WITH METHANESULFONATE (1:1)

Common Name

English

3-(1,2,4-TRIAZOLO(4,3-A)PYRIDINE-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLPHENYL)BENZAMIDE METHANESULPHONATE

Common Name

English

3-(1,2,4-TRIAZOLO(4,3-A)PYRIDINE-3-YLETHYNYL)-4-METHYL-N-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)-3-TRIFLUOROMETHYLPHENYL)BENZAMIDE MONOMETHANESULFONIC ACID SALT

Common Name

English

PF-114 METHANESULFONATE

Common Name

English

PF-114 MESYLATE

Common Name

English

Code System Code Type Description

PUBCHEM

132020020

Created by admin on Sat Dec 16 18:20:07 UTC 2023 , Edited by admin on Sat Dec 16 18:20:07 UTC 2023

PRIMARY

CAS

2141996-20-3

Created by admin on Sat Dec 16 18:20:07 UTC 2023 , Edited by admin on Sat Dec 16 18:20:07 UTC 2023

PRIMARY

FDA UNII

372ZE79K3S

Created by admin on Sat Dec 16 18:20:07 UTC 2023 , Edited by admin on Sat Dec 16 18:20:07 UTC 2023

PRIMARY

SMS_ID

100000177372

Created by admin on Sat Dec 16 18:20:07 UTC 2023 , Edited by admin on Sat Dec 16 18:20:07 UTC 2023

PRIMARY

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