Istisociclib dihydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H25N5.2ClH
Molecular Weight	360.325
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Istisociclib dihydrochloride

Structure Search

SMILES

Cl.Cl.CCC(CC)C1=NC2=CC=NN2C(N[C@H]3CC[C@H](N)C3)=C1

InChI

InChIKey=OTUPXOLLHVLWQF-NJHZPMQHSA-N

InChI=1S/C16H25N5.2ClH/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21;;/h7-8,10-13,19H,3-6,9,17H2,1-2H3;2*1H/t12-,13-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C16H25N5
Molecular Weight	287.4032
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:50:56 GMT 2025` Edited by `admin` on `Wed Apr 02 19:50:56 GMT 2025`
Record UNII	CBP4MG5FKM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Istisociclib dihydrochloride

Common Name

English

(1S,3S)-3-Amino-1-[5-(1-ethylpropyl)-1,4,7a-triazainden-7-ylamino]cyclopentane dihydrochloride

Preferred Name

English

KB-0742 dihydrochloride

Code

English

(1S,3S)-N<sup>1</sup>-[5-(1-Ethylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-cyclopentanediamine dihydrochloride

Systematic Name

English

1,3-Cyclopentanediamine, N<sup>1</sup>-[5-(1-ethylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]-, (1S,3S)-, hydrochloride (1:2)

Systematic Name

English

Code System Code Type Description

PUBCHEM

155819527

Created by admin on Wed Apr 02 19:50:56 GMT 2025 , Edited by admin on Wed Apr 02 19:50:56 GMT 2025

PRIMARY

CAS

2990122-64-8

Created by admin on Wed Apr 02 19:50:56 GMT 2025 , Edited by admin on Wed Apr 02 19:50:56 GMT 2025

PRIMARY

FDA UNII

CBP4MG5FKM

Created by admin on Wed Apr 02 19:50:56 GMT 2025 , Edited by admin on Wed Apr 02 19:50:56 GMT 2025

PRIMARY

SMS_ID

300000035999

Created by admin on Wed Apr 02 19:50:56 GMT 2025 , Edited by admin on Wed Apr 02 19:50:56 GMT 2025

PRIMARY

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