TRILACICLIB DIHYDROCHLORIDE DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H30N8O.2ClH.2H2O
Molecular Weight	555.5
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRILACICLIB DIHYDROCHLORIDE DIHYDRATE

Structure Search

SMILES

O.O.Cl.Cl.CN1CCN(CC1)C2=CC=C(NC3=NC=C4C=C5N(C4=N3)C6(CCCCC6)CNC5=O)N=C2

InChI

InChIKey=SKOZJJQJPVXPFR-UHFFFAOYSA-N

InChI=1S/C24H30N8O.2ClH.2H2O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23;;;;/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29);2*1H;2*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	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	C24H30N8O
Molecular Weight	446.548
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 17:56:00 UTC 2023` Edited by `admin` on `Sat Dec 16 17:56:00 UTC 2023`
Record UNII	Z0VZ227G1L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRILACICLIB DIHYDROCHLORIDE DIHYDRATE

Common Name

English

SPIRO(CYCLOHEXANE-1,9'(6'H)-PYRAZINO(1',2':1,5)PYRROLO(2,3-D)PYRIMIDIN)-6'-ONE, 7',8'-DIHYDRO-2'-((5-(4-METHYL-1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-, HYDROCHLORIDE, HYDRATE (1:2:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

155491232

Created by admin on Sat Dec 16 17:56:00 UTC 2023 , Edited by admin on Sat Dec 16 17:56:00 UTC 2023

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PUBCHEM

CAS

2519335-12-5

Created by admin on Sat Dec 16 17:56:00 UTC 2023 , Edited by admin on Sat Dec 16 17:56:00 UTC 2023

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