RALTITREXED

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22N4O6S
Molecular Weight	458.488
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RALTITREXED

Structure Search

SMILES

CN(CC1=CC2=C(C=C1)N=C(C)NC2=O)C3=CC=C(S3)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=IVTVGDXNLFLDRM-HNNXBMFYSA-N

InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H22N4O6S
Molecular Weight	458.488
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:32:14 UTC 2023` Edited by `admin` on `Fri Dec 15 15:32:14 UTC 2023`
Record UNII	FCB9EGG971
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RALTITREXED

Official Name

English

Raltitrexed [WHO-DD]

Common Name

English

L-GLUTAMIC ACID, N-((5-(((1,4-DIHYDRO-2-METHYL-4-OXO-6-QUINAZOLINYL)METHYL)METHYLAMINO)-2-THIENYL)CARBONYL)-

Common Name

English

ZD-1694

Code

English

RALTITREXED [MART.]

Common Name

English

RALTITREXED [JAN]

Common Name

English

ZD-16

Code

English

RALTITREXED [MI]

Common Name

English

raltitrexed [INN]

Common Name

English

ZD1694

Code

English

N-(5-(((3,4-DIHYDRO-2-METHYL-4-OXO-6-QUINAZOLINYL)METHYL)METHYLAMINO)-2-THENOYL)-L-GLUTAMIC ACID

Systematic Name

English

RALTITREXED [USAN]

Common Name

English

TOMUDEX

Brand Name

English

Classification Tree Code System Code

NCI_THESAURUS

C511

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

WHO-VATC

QL01BA03

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

WHO-ATC

L01BA03

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

NCI_THESAURUS

C2021

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

Code System Code Type Description

EPA CompTox

DTXSID0046482

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

DRUG CENTRAL

2353

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

EVMPD

SUB10244MIG

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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FDA UNII

FCB9EGG971

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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IUPHAR

7403

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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MERCK INDEX

m9487

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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Merck Index

WIKIPEDIA

RALTITREXED

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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MESH

C068874

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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ChEMBL

CHEMBL225071

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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CAS

112887-68-0

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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PUBCHEM

135400182

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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INN

7319

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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SMS_ID

100000080291

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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RXCUI

196239

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

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RxNorm

USAN

II-28

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

DRUG BANK

DB00293

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

NCI_THESAURUS

C1804

Created by admin on Fri Dec 15 15:32:15 UTC 2023 , Edited by admin on Fri Dec 15 15:32:15 UTC 2023

PRIMARY

Related Record Type Details


					Y49M64GZ4Q

MRP-1

TRANSPORTER -> SUBSTRATE

Amount:


					50VZN4BPUK

RALTITREXED DISODIUM

SALT/SOLVATE -> PARENT

Amount:


					D79B6ADG1E

THYMIDYLATE SYNTHASE

TARGET -> INHIBITOR

Amount:

Related Record Type Details


					FCB9EGG971

ACTIVE MOIETY

Amount: