PEMETREXED DISODIUM HEPTAHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19N5O6.2Na.7H2O
Molecular Weight	597.4813
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PEMETREXED DISODIUM HEPTAHYDRATE

Structure Search

SMILES

O.O.O.O.O.O.O.[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=QJVSMHJWAOSBMD-MYXYZBIASA-L

InChI=1S/C20H21N5O6.2Na.7H2O/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);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

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

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 `Fri Dec 15 16:56:07 UTC 2023` Edited by `admin` on `Fri Dec 15 16:56:07 UTC 2023`
Record UNII	9T47E4OM16
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEMETREXED DISODIUM HEPTAHYDRATE

Common Name

English

PEMETREXED DISODIUM HEPTAHYDRATE [EP MONOGRAPH]

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)-, SODIUM SALT, HYDRATE (1:2:7)

Common Name

English

PEMETREXED DISODIUM [MART.]

Common Name

English

PEMETREXED SODIUM HYDRATE

Common Name

English

PEMETREXED SODIUM HYDRATE [JAN]

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, HEPTAHYDRATE

Common Name

English

Pemetrexed disodium heptahydrate [WHO-DD]

Common Name

English

Code System Code Type Description

EVMPD

SUB25194