OMECAMTIV MECARBIL DIHYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H24FN5O3.2ClH.H2O
Molecular Weight	492.372
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of OMECAMTIV MECARBIL DIHYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.Cl.COC(=O)N1CCN(CC2=CC=CC(NC(=O)NC3=CC=C(C)N=C3)=C2F)CC1

InChI

InChIKey=FISUSGPPMSVPJR-UHFFFAOYSA-N

InChI=1S/C20H24FN5O3.2ClH.H2O/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2;;;/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27);2*1H;1H2

HIDE SMILES / InChI

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

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	C20H24FN5O3
Molecular Weight	401.4347
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 19:10:25 UTC 2023` Edited by `admin` on `Sat Dec 16 19:10:25 UTC 2023`
Record UNII	352W4DWZ3L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OMECAMTIV MECARBIL DIHYDROCHLORIDE MONOHYDRATE

Common Name

English

1-PIPERAZINECARBOXYLIC ACID, 4-((2-FLUORO-3-((((6-METHYL-3-PYRIDINYL)AMINO)CARBONYL)AMINO)PHENYL)METHYL)-, METHYL ESTER, HYDROCHLORIDE, HYDRATE (1:2:1)

Systematic Name

English

OMECAMTIV MECARBIL HYDROCHLORIDE HYDRATE [JAN]

Common Name

English

OMECAMTIV MECARBIL HYDROCHLORIDE HYDRATE

Common Name

English

Code System Code Type Description

FDA UNII

352W4DWZ3L

Created by admin on Sat Dec 16 19:10:25 UTC 2023 , Edited by admin on Sat Dec 16 19:10:25 UTC 2023

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PUBCHEM

78425816

Created by admin on Sat Dec 16 19:10:25 UTC 2023 , Edited by admin on Sat Dec 16 19:10:25 UTC 2023

PRIMARY

CAS

1628699-20-6

Created by admin on Sat Dec 16 19:10:25 UTC 2023 , Edited by admin on Sat Dec 16 19:10:25 UTC 2023

PRIMARY

KEGG

D11809

Created by admin on Sat Dec 16 19:10:25 UTC 2023 , Edited by admin on Sat Dec 16 19:10:25 UTC 2023

PRIMARY

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