PEMETREXED DIPOTASSIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19N5O6.2K
Molecular Weight	503.5914
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].[K+].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=YQABXEMTTPRASZ-GXKRWWSZSA-L

InChI=1S/C20H21N5O6.2K/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	K
Molecular Weight	39.0983
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:42:23 UTC 2023` Edited by `admin` on `Sat Dec 16 15:42:23 UTC 2023`
Record UNII	Z9SLP4OW0Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEMETREXED DIPOTASSIUM

Common Name

English

Pemetrexed dipotassium [WHO-DD]

Common Name

English

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

Systematic Name

English

Code System Code Type Description

SMS_ID

100000167036

Created by admin on Sat Dec 16 15:42:23 UTC 2023 , Edited by admin on Sat Dec 16 15:42:23 UTC 2023

PRIMARY

CAS

1438895-00-1

Created by admin on Sat Dec 16 15:42:23 UTC 2023 , Edited by admin on Sat Dec 16 15:42:23 UTC 2023

PRIMARY

PUBCHEM

136266586

Created by admin on Sat Dec 16 15:42:23 UTC 2023 , Edited by admin on Sat Dec 16 15:42:23 UTC 2023

PRIMARY

FDA UNII

Z9SLP4OW0Y

Created by admin on Sat Dec 16 15:42:23 UTC 2023 , Edited by admin on Sat Dec 16 15:42:23 UTC 2023

PRIMARY

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					04Q9AIZ7NO

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ACTIVE MOIETY