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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28N6O9
Molecular Weight 556.5246
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEMETREXED GLUTAMIDE

SMILES

NC1=NC(=O)C2=C(NC=C2CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)N1

InChI

InChIKey=COZFORXRWZIVED-HOTGVXAUSA-N
InChI=1S/C25H28N6O9/c26-25-30-20-19(22(36)31-25)14(11-27-20)6-3-12-1-4-13(5-2-12)21(35)29-16(24(39)40)7-9-17(32)28-15(23(37)38)8-10-18(33)34/h1-2,4-5,11,15-16H,3,6-10H2,(H,28,32)(H,29,35)(H,33,34)(H,37,38)(H,39,40)(H4,26,27,30,31,36)/t15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H28N6O9
Molecular Weight 556.5246
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:27:46 UTC 2023
Edited
by admin
on Sat Dec 16 10:27:46 UTC 2023
Record UNII
DW7GW4VJ2C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PEMETREXED GLUTAMIDE
Common Name English
(2S)-2-(((4S)-4-((4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)AMINO)-4-CARBOXYBUTANOYL)AMINO)PENTANEDIOIC ACID
Systematic Name English
PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY D [EP IMPURITY]
Common Name English
(4-(2-(2-AMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-4-L-GLUTAMYL-L-GLUTAMIC ACID
Systematic Name English
N-(4-(2-(2-AMINO-4,7-DIHYDRO-4-OXO-3H-PYRROLO(2,3-D)PYRIMIDIN-5-YL)ETHYL)BENZOYL)-L-.GAMMA.-GLUTAMYL-L-GLUTAMIC ACID
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)-L-.GAMMA.-GLUTAMYL-
Systematic Name English
PEMETREXED L-GLUTAMIC ACID
Common Name English
Code System Code Type Description
FDA UNII
DW7GW4VJ2C
Created by admin on Sat Dec 16 10:27:46 UTC 2023 , Edited by admin on Sat Dec 16 10:27:46 UTC 2023
PRIMARY
CAS
144051-68-3
Created by admin on Sat Dec 16 10:27:46 UTC 2023 , Edited by admin on Sat Dec 16 10:27:46 UTC 2023
PRIMARY
PUBCHEM
135877968
Created by admin on Sat Dec 16 10:27:46 UTC 2023 , Edited by admin on Sat Dec 16 10:27:46 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP