PEMETREXED ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H14N4O3
Molecular Weight	298.2967
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PEMETREXED ACID

Structure Search

SMILES

NC1=NC(=O)C2=C(NC=C2CCC3=CC=C(C=C3)C(O)=O)N1

InChI

InChIKey=AIZPFZIKHIJCQX-UHFFFAOYSA-N

InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)

HIDE SMILES / InChI

Molecular Formula	C15H14N4O3
Molecular Weight	298.2967
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 `Mon Mar 31 23:15:27 GMT 2025` Edited by `admin` on `Mon Mar 31 23:15:27 GMT 2025`
Record UNII	JBZ211669I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEMETREXED ACID

Common Name

English

4 -[2-(2- AMINO 4 ,7 DIHYDRO-4-OXO-1H-PYMOL[2,3-D] PYRIMODIN-5-YL) ETHYL] BENZOIC ACID

Preferred Name

English

BENZOIC ACID, 4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)-

Systematic Name

English

4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOIC ACID

Systematic Name

English

Code System Code Type Description

CAS

137281-39-1

Created by admin on Mon Mar 31 23:15:27 GMT 2025 , Edited by admin on Mon Mar 31 23:15:27 GMT 2025

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PUBCHEM

135405776

Created by admin on Mon Mar 31 23:15:27 GMT 2025 , Edited by admin on Mon Mar 31 23:15:27 GMT 2025

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FDA UNII

JBZ211669I

Created by admin on Mon Mar 31 23:15:27 GMT 2025 , Edited by admin on Mon Mar 31 23:15:27 GMT 2025

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RS_ITEM_NUM

1A01140

Created by admin on Mon Mar 31 23:15:27 GMT 2025 , Edited by admin on Mon Mar 31 23:15:27 GMT 2025

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EPA CompTox

DTXSID80430861

Created by admin on Mon Mar 31 23:15:27 GMT 2025 , Edited by admin on Mon Mar 31 23:15:27 GMT 2025

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SMS_ID

300000053535

Created by admin on Mon Mar 31 23:15:27 GMT 2025 , Edited by admin on Mon Mar 31 23:15:27 GMT 2025

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