SHI-437

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H29N5O2.3ClH
Molecular Weight	492.87
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.Cl.COC1=CC=CC=C1N2CCN(CCNC3=NC(C)=C(C(C)=O)C(C)=N3)CC2

InChI

InChIKey=GZYRDLQDXVNZIO-UHFFFAOYSA-N

InChI=1S/C21H29N5O2.3ClH/c1-15-20(17(3)27)16(2)24-21(23-15)22-9-10-25-11-13-26(14-12-25)18-7-5-6-8-19(18)28-4;;;/h5-8H,9-14H2,1-4H3,(H,22,23,24);3*1H

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	C21H29N5O2
Molecular Weight	383.4873
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 `Mon Mar 31 21:27:03 GMT 2025` Edited by `admin` on `Mon Mar 31 21:27:03 GMT 2025`
Record UNII	KVX80E0D8J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2-((2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)AMINO)-4,6-DIMETHYL-5-PYRIMIDINYL)ETHANONE TRIHYDROCHLORIDE

Preferred Name

English

SHI-437

Code

English

ETHANONE, 1-(2-((2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)AMINO)-4,6-DIMETHYL-5-PYRIMIDINYL)-, HYDROCHLORIDE (1:3)

Systematic Name

English

Code System Code Type Description

PUBCHEM

129405

Created by admin on Mon Mar 31 21:27:03 GMT 2025 , Edited by admin on Mon Mar 31 21:27:03 GMT 2025

PRIMARY

CAS

121264-02-6

Created by admin on Mon Mar 31 21:27:03 GMT 2025 , Edited by admin on Mon Mar 31 21:27:03 GMT 2025

PRIMARY

FDA UNII

KVX80E0D8J

Created by admin on Mon Mar 31 21:27:03 GMT 2025 , Edited by admin on Mon Mar 31 21:27:03 GMT 2025

PRIMARY

EPA CompTox

DTXSID60923746

Created by admin on Mon Mar 31 21:27:03 GMT 2025 , Edited by admin on Mon Mar 31 21:27:03 GMT 2025

PRIMARY

Related Record Type Details


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