OLMUTINIB DIHYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H26N6O2S.2ClH.H2O
Molecular Weight	577.526
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OLMUTINIB DIHYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.Cl.CN1CCN(CC1)C2=CC=C(NC3=NC(OC4=CC=CC(NC(=O)C=C)=C4)=C5SC=CC5=N3)C=C2

InChI

InChIKey=WOGXTANDURUJNH-UHFFFAOYSA-N

InChI=1S/C26H26N6O2S.2ClH.H2O/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32;;;/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30);2*1H;1H2

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C26H26N6O2S
Molecular Weight	486.589
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
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 09:05:46 UTC 2023` Edited by `admin` on `Sat Dec 16 09:05:46 UTC 2023`
Record UNII	4VRE4P3LWH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OLMUTINIB DIHYDROCHLORIDE MONOHYDRATE

Common Name

English

Olmutinib dihydrochloride monohydrate [WHO-DD]

Common Name

English

2-PROPENAMIDE, N-(3-((2-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)THIENO(3,2-D)PYRIMIDIN-4-YL)OXY)PHENYL)-, HYDROCHLORIDE, HYDRATE (1:2:1)

Systematic Name

English

Code System Code Type Description

CAS

1938072-69-5

Created by admin on Sat Dec 16 09:05:46 UTC 2023 , Edited by admin on Sat Dec 16 09:05:46 UTC 2023

PRIMARY

PUBCHEM

122173949

Created by admin on Sat Dec 16 09:05:46 UTC 2023 , Edited by admin on Sat Dec 16 09:05:46 UTC 2023

PRIMARY

FDA UNII

4VRE4P3LWH

Created by admin on Sat Dec 16 09:05:46 UTC 2023 , Edited by admin on Sat Dec 16 09:05:46 UTC 2023

PRIMARY

SMS_ID

300000005380

Created by admin on Sat Dec 16 09:05:46 UTC 2023 , Edited by admin on Sat Dec 16 09:05:46 UTC 2023

PRIMARY

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