PEMETREXED TROMETHAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H21N5O6.2C4H11NO3.2H2O
Molecular Weight	705.7113
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.NC(CO)(CO)CO.NC(CO)(CO)CO.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=DUORKVZYABUEHW-AHJYMZSGSA-N

InChI=1S/C20H21N5O6.2C4H11NO3.2H2O/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;2*5-4(1-6,2-7)3-8;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);2*6-8H,1-3,5H2;2*1H2/t13-;;;;/m0..../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

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	C4H11NO3
Molecular Weight	121.135
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 `Sat Dec 16 11:03:58 UTC 2023` Edited by `admin` on `Sat Dec 16 11:03:58 UTC 2023`
Record UNII	UW86GB537A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PEMETREXED TROMETHAMINE

Official Name

English

PEMETREXED DITROMETHAMINE DIHYDRATE

Common Name

English

Pemetrexed ditromethamine dihydrate [WHO-DD]

Common Name

English

N-(4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-GLUTAMIC ACID BIS(2-AMINO-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL) SALT, DIHYDRATE

Systematic Name

English

PEMETREXED TROMETHAMINE [USAN]

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)-, COMPD. WITH 2-AMINO-2-(HYDROXYMETHYL)-1,3-PROPANEDIOL, HYDRATE (1:2:2)

Systematic Name

English

Code System Code Type Description

USAN

EF-05