PEMETREXED DISODIUM

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19N5O6.2Na
Molecular Weight	471.3743
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PEMETREXED DISODIUM

Structure Search

SMILES

[Na+].[Na+].NC1=NC2=C(C(CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)=CN2)C(=O)N1

InChI

InChIKey=NYDXNILOWQXUOF-GXKRWWSZSA-L

InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C20H19N5O6
Molecular Weight	425.3948
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 15:39:52 UTC 2023` Edited by `admin` on `Fri Dec 15 15:39:52 UTC 2023`
Record UNII	2PKU919BA9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEMETREXED DISODIUM

Official Name

English

PEMETREXED DISODIUM [USP-RS]

Common Name

English

DISODIUM N-(P-(2-((2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMATE

Common Name

English

PEMETREXED DISODIUM [USAN]

Common Name

English

PEMETREXED DISODIUM [ORANGE BOOK]

Common Name

English

PEMETREXED SODIUM SALT

Common Name

English

Pemetrexed disodium [WHO-DD]

Common Name

English

LY231514 DISODIUM SALT

Code

English

PEMETREXED DISODIUM [USP MONOGRAPH]

Common Name

English

L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-, DISODIUM SALT

Common Name

English

PEMETREXED SODIUM SALT [MI]

Common Name

English

ALIMTA

Brand Name

English

LY-231514 DISODIUM SALT

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

145101

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

NCI_THESAURUS

C2021

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

NCI_THESAURUS

C511

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

EU-Orphan Drug

EU/3/01/060

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

Code System Code Type Description

ChEMBL

CHEMBL1201258

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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SMS_ID

100000092188

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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EVMPD

SUB03669MIG

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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PUBCHEM

101068009

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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EPA CompTox

DTXSID8046660

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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MERCK INDEX

m8456

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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Merck Index

RS_ITEM_NUM

1500659

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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DAILYMED

2PKU919BA9

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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DRUG BANK

DB00642

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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RXCUI

282443

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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RxNorm

USAN

JJ-26

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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CAS

150399-23-8

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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FDA UNII

2PKU919BA9

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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NCI_THESAURUS

C1533

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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CHEBI

63723

Created by admin on Fri Dec 15 15:39:52 UTC 2023 , Edited by admin on Fri Dec 15 15:39:52 UTC 2023

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Related Record Type Details


					9T47E4OM16

PEMETREXED DISODIUM HEPTAHYDRATE

SOLVATE->ANHYDROUS


					F4GSH45R4C

PEMETREXED DISODIUM HEMIPENTAHYDRATE

SOLVATE->ANHYDROUS


					04Q9AIZ7NO

PARENT -> SALT/SOLVATE

Related Record Type Details


					04Q9AIZ7NO

ACTIVE MOIETY