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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 of SHI-437

SMILES

Cl.Cl.Cl.COC1=C(C=CC=C1)N2CCN(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 C21H29N5O2
Molecular Weight 383.4873
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:11:16 GMT 2023
Edited
by admin
on Sat Dec 16 05:11:16 GMT 2023
Record UNII
KVX80E0D8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SHI-437
Code English
1-(2-((2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)AMINO)-4,6-DIMETHYL-5-PYRIMIDINYL)ETHANONE TRIHYDROCHLORIDE
Systematic Name 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 Sat Dec 16 05:11:16 GMT 2023 , Edited by admin on Sat Dec 16 05:11:16 GMT 2023
PRIMARY
CAS
121264-02-6
Created by admin on Sat Dec 16 05:11:16 GMT 2023 , Edited by admin on Sat Dec 16 05:11:16 GMT 2023
PRIMARY
FDA UNII
KVX80E0D8J
Created by admin on Sat Dec 16 05:11:16 GMT 2023 , Edited by admin on Sat Dec 16 05:11:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID60923746
Created by admin on Sat Dec 16 05:11:16 GMT 2023 , Edited by admin on Sat Dec 16 05:11:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE