PEMETREXED 6-OXO DIACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H21N5O7
Molecular Weight	443.41
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC2=C(C(CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)N2)C(=O)N1

InChI

InChIKey=YVRHJHKPTURIID-KIYNQFGBSA-N

InChI=1S/C20H21N5O7/c21-20-24-15-14(18(30)25-20)11(17(29)23-15)6-3-9-1-4-10(5-2-9)16(28)22-12(19(31)32)7-8-13(26)27/h1-2,4-5,11-12H,3,6-8H2,(H,22,28)(H,26,27)(H,31,32)(H4,21,23,24,25,29,30)/t11?,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H21N5O7
Molecular Weight	443.41
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:27:46 GMT 2023` Edited by `admin` on `Sat Dec 16 10:27:46 GMT 2023`
Record UNII	4AF6UXL7P7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEMETREXED 6-OXO DIACID

Common Name

English

LY-338979

Code

English

L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-4,5,6,7-TETRAHYDRO-4,6-DIOXO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

135565729

Created by admin on Sat Dec 16 10:27:46 GMT 2023 , Edited by admin on Sat Dec 16 10:27:46 GMT 2023

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EPA CompTox

DTXSID50857945

Created by admin on Sat Dec 16 10:27:46 GMT 2023 , Edited by admin on Sat Dec 16 10:27:46 GMT 2023

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FDA UNII

4AF6UXL7P7

Created by admin on Sat Dec 16 10:27:46 GMT 2023 , Edited by admin on Sat Dec 16 10:27:46 GMT 2023

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CAS

193281-00-4

Created by admin on Sat Dec 16 10:27:46 GMT 2023 , Edited by admin on Sat Dec 16 10:27:46 GMT 2023

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