CEP-37440 TRIHYDROCHLORIDE DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H38ClN7O3.3ClH.2H2O
Molecular Weight	725.534
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CEP-37440 TRIHYDROCHLORIDE DIHYDRATE

Structure Search

SMILES

O.O.Cl.Cl.Cl.CNC(=O)C1=C(NC2=NC(NC3=CC=C4C[C@H](CCCC4=C3OC)N5CCN(CCO)CC5)=NC=C2Cl)C=CC=C1

InChI

InChIKey=RDIKDYVDRWYSQX-DHOIFHORSA-N

InChI=1S/C30H38ClN7O3.3ClH.2H2O/c1-32-29(40)23-7-3-4-9-25(23)34-28-24(31)19-33-30(36-28)35-26-11-10-20-18-21(6-5-8-22(20)27(26)41-2)38-14-12-37(13-15-38)16-17-39;;;;;/h3-4,7,9-11,19,21,39H,5-6,8,12-18H2,1-2H3,(H,32,40)(H2,33,34,35,36);3*1H;2*1H2/t21-;;;;;/m0...../s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CEP-37440 TRIHYDROCHLORIDE DIHYDRATE

Code

English

BENZAMIDE, 2-((5-CHLORO-2-(((6S)-6,7,8,9-TETRAHYDRO-6-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-1-METHOXY-5H-BENZOCYCLOHEPTEN-2-YL)AMINO)-4-PYRIMIDINYL)AMINO)-N-METHYL-, HYDROCHLORIDE, HYDRATE (1:3:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

2N1592JH39

Created by admin on Sat Dec 16 05:55:07 UTC 2023 , Edited by admin on Sat Dec 16 05:55:07 UTC 2023

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PUBCHEM

71721647

Created by admin on Sat Dec 16 05:55:07 UTC 2023 , Edited by admin on Sat Dec 16 05:55:07 UTC 2023

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CAS