PEMETREXED, (R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21N5O6
Molecular Weight	427.4106
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
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)=CN2)C(=O)N1

InChI

InChIKey=WBXPDJSOTKVWSJ-CYBMUJFWSA-N

InChI=1S/C20H21N5O6/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)/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H21N5O6
Molecular Weight	427.4106
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 `Sat Dec 16 18:48:55 UTC 2023` Edited by `admin` on `Sat Dec 16 18:48:55 UTC 2023`
Record UNII	FG8Q47888S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEMETREXED, (R)-

Common Name

English

(R)-PEMETREXED

Common Name

English

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

Systematic Name

English

(2R)-2-((4-(2-(2-AMINO-4-OXO-3H,4H,7H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)PHENYL)FORMAMIDO)PENTANEDIOIC ACID

Systematic Name

English

PEMETREXED (R) ENANTIOMER

Common Name

English

PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY E [EP IMPURITY]

Common Name

English

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

Systematic Name

English

(2R)-2-((4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)AMINO)PENTANEDIOIC ACID

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70861342

Created by admin on Sat Dec 16 18:48:55 UTC 2023 , Edited by admin on Sat Dec 16 18:48:55 UTC 2023

PRIMARY

FDA UNII

FG8Q47888S

Created by admin on Sat Dec 16 18:48:55 UTC 2023 , Edited by admin on Sat Dec 16 18:48:55 UTC 2023

PRIMARY

PUBCHEM

135565230

Created by admin on Sat Dec 16 18:48:55 UTC 2023 , Edited by admin on Sat Dec 16 18:48:55 UTC 2023

PRIMARY

CAS

182009-04-7

Created by admin on Sat Dec 16 18:48:55 UTC 2023 , Edited by admin on Sat Dec 16 18:48:55 UTC 2023

PRIMARY

Related Record Type Details


					9T47E4OM16

PEMETREXED DISODIUM HEPTAHYDRATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: