CARSATRIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H26F2N6OS
Molecular Weight	496.575
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CARSATRIN

Structure Search

SMILES

OC(CSC1=NC=NC2=C1N=CN2)CN3CCN(CC3)C(C4=CC=C(F)C=C4)C5=CC=C(F)C=C5

InChI

InChIKey=JOMBZLFCXNSKEQ-UHFFFAOYSA-N

InChI=1S/C25H26F2N6OS/c26-19-5-1-17(2-6-19)23(18-3-7-20(27)8-4-18)33-11-9-32(10-12-33)13-21(34)14-35-25-22-24(29-15-28-22)30-16-31-25/h1-8,15-16,21,23,34H,9-14H2,(H,28,29,30,31)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CARSATRIN

Official Name

English

carsatrin [INN]

Common Name

English

(±)-4-(BIS(P-FLUOROPHENYL)METHYL)-.ALPHA.-((9H-PURIN-6-YLTHIO)METHYL)-1-PIPERAZINEETHANOL

Common Name

English

1-PIPERAZINEETHANOL, 4-(BIS(4-FLUOROPHENYL)METHYL)-.ALPHA.-((9H-PURIN-6-YLTHIO)METHYL)-, (±)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78322

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

Code System Code Type Description

CAS

125363-87-3

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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EVMPD

SUB06147MIG

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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EPA CompTox

DTXSID90869724

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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SMS_ID

100000081348

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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MESH

C078816

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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PUBCHEM

193951

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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ChEMBL

CHEMBL313458

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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INN

6975

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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FDA UNII

2E3S34L69I

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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NCI_THESAURUS

C79875

Created by admin on Sat Dec 16 18:03:11 UTC 2023 , Edited by admin on Sat Dec 16 18:03:11 UTC 2023

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ACTIVE MOIETY


					2E3S34L69I

CARSATRIN

SALT/SOLVATE (PARENT)


					YAZ544QOFD

CARSATRIN SUCCINATE