U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21N5O6.2C4H11NO3
Molecular Weight 669.6807
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEMETREXED TROMETHAMINE ANHYDROUS

SMILES

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=HNJZWVKZQZMXHP-GXKRWWSZSA-N
InChI=1S/C20H21N5O6.2C4H11NO3/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/t13-;;/m0../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PEMETREXED TROMETHAMINE ANHYDROUS
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 (1:2)
Systematic Name English
PEMETREXED DITROMETAMOL
Common Name English
PEMETREXED DITROMETHAMINE
Common Name English
Code System Code Type Description
FDA UNII
HU11J9IK8F
Created by admin on Sat Dec 16 10:55:13 UTC 2023 , Edited by admin on Sat Dec 16 10:55:13 UTC 2023
PRIMARY
PUBCHEM
135565228
Created by admin on Sat Dec 16 10:55:13 UTC 2023 , Edited by admin on Sat Dec 16 10:55:13 UTC 2023
PRIMARY
EVMPD
SUB180968
Created by admin on Sat Dec 16 10:55:13 UTC 2023 , Edited by admin on Sat Dec 16 10:55:13 UTC 2023
PRIMARY
DAILYMED
HU11J9IK8F
Created by admin on Sat Dec 16 10:55:13 UTC 2023 , Edited by admin on Sat Dec 16 10:55:13 UTC 2023
PRIMARY
CAS
1906920-41-9
Created by admin on Sat Dec 16 10:55:13 UTC 2023 , Edited by admin on Sat Dec 16 10:55:13 UTC 2023
NON-SPECIFIC STOICHIOMETRY
SMS_ID
100000166751
Created by admin on Sat Dec 16 10:55:13 UTC 2023 , Edited by admin on Sat Dec 16 10:55:13 UTC 2023
PRIMARY
RXCUI
2604776
Created by admin on Sat Dec 16 10:55:13 UTC 2023 , Edited by admin on Sat Dec 16 10:55:13 UTC 2023
PRIMARY
CAS
1645228-03-0
Created by admin on Sat Dec 16 10:55:13 UTC 2023 , Edited by admin on Sat Dec 16 10:55:13 UTC 2023
PRIMARY