ALMITRINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H29F2N7
Molecular Weight	477.5522
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALMITRINE

Structure Search

SMILES

FC1=CC=C(C=C1)C(N2CCN(CC2)C3=NC(NCC=C)=NC(NCC=C)=N3)C4=CC=C(F)C=C4

InChI

InChIKey=OBDOVFRMEYHSQB-UHFFFAOYSA-N

InChI=1S/C26H29F2N7/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)

HIDE SMILES / InChI

Molecular Formula	C26H29F2N7
Molecular Weight	477.5522
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 `Fri Dec 15 15:23:47 UTC 2023` Edited by `admin` on `Fri Dec 15 15:23:47 UTC 2023`
Record UNII	9A1222NBG4
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ALMITRINE

Official Name

English

ALMITRINE [MI]

Common Name

English

1,3,5-TRIAZINE-2,4-DIAMINE, 6-(4-(BIS(4-FLUOROPHENYL)METHYL)-1-PIPERAZINYL)-N,N'-DI-2-PROPENYL-

Systematic Name

English

Almitrine [WHO-DD]

Common Name

English

2,4-BIS(ALLYLAMINO)-6-(4-(BIS(P-FLUOROPHENYL)METHYL)-1-PIPERAZINYL)-S-TRIAZINE

Common Name

English

almitrine [INN]

Common Name

English

6-(4-(BIS(4-FLUOROPHENYL)METHYL)1-PIPERAZINYL)-N,N'-DI-2-PROPENYL-1,3,5-TRIAZINE-2,4-DIAMINE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47795

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

WHO-ATC

R07AB07

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

WHO-VATC

QR07AB07

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

Code System Code Type Description

CHEBI

53778

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

PRIMARY

NCI_THESAURUS

C74241

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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MESH

D015765

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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CAS

27469-53-0

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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EPA CompTox

DTXSID4057899

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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SMS_ID

100000087461

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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FDA UNII

9A1222NBG4

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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ChEMBL

CHEMBL1183717

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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RXCUI

528

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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RxNorm

ECHA (EC/EINECS)

248-475-5

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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DRUG BANK

DB01430

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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WIKIPEDIA

ALMITRINE

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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PUBCHEM

33887

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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DRUG CENTRAL

127

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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MERCK INDEX

m1564

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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Merck Index

INN

4123

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

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EVMPD

SUB05348MIG

Created by admin on Fri Dec 15 15:23:47 UTC 2023 , Edited by admin on Fri Dec 15 15:23:47 UTC 2023

PRIMARY

Related Record Type Details


					6RY6V6XM8T

ALMITRINE MESYLATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					9A1222NBG4

ALMITRINE

ACTIVE MOIETY