Pemetrexed diethyl ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H29N5O6
Molecular Weight	483.517
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)CC[C@H](NC(=O)C1=CC=C(CCC2=CNC3=C2C(=O)N=C(N)N3)C=C1)C(=O)OCC

InChI

InChIKey=DEJAOZLLEHXUBF-KRWDZBQOSA-N

InChI=1S/C24H29N5O6/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H29N5O6
Molecular Weight	483.517
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 20:13:18 GMT 2023` Edited by `admin` on `Sat Dec 16 20:13:18 GMT 2023`
Record UNII	JXT4RDT5JY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Pemetrexed diethyl ester

Common Name

English

N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester

Systematic Name

English

(S)-Diethyl 2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioate

Systematic 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]-, 1,5-diethyl ester

Systematic 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]-, diethyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

JXT4RDT5JY

Created by admin on Sat Dec 16 20:13:19 GMT 2023 , Edited by admin on Sat Dec 16 20:13:19 GMT 2023

PRIMARY

CAS

146943-43-3

Created by admin on Sat Dec 16 20:13:19 GMT 2023 , Edited by admin on Sat Dec 16 20:13:19 GMT 2023

PRIMARY

PUBCHEM

135487707

Created by admin on Sat Dec 16 20:13:19 GMT 2023 , Edited by admin on Sat Dec 16 20:13:19 GMT 2023

PRIMARY

Related Record Type Details


					AC5W4UN7ET

Pemetrexed diethyl ester tosylate

SALT/SOLVATE -> PARENT

Amount: