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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23N5O6.2Na
Molecular Weight 487.4168
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOMETREXOL SODIUM

SMILES

[Na+].[Na+].NC1=NC2=C(C[C@@H](CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CN2)C(=O)N1

InChI

InChIKey=SVJSWELRJWVPQD-KJWOGLQMSA-L
InChI=1S/C21H25N5O6.2Na/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28;;/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30);;/q;2*+1/p-2/t12-,15+;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LOMETREXOL SODIUM
USAN   WHO-DD  
USAN  
Official Name English
Lometrexol sodium [WHO-DD]
Common Name English
NSC-722969
Code English
LY-264618 DISODIUM
Code English
LY264618 DISODIUM
Code English
L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-1,4,5,6,7,8-HEXAHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-6-YL)ETHYL)BENZOYL)-, DISODIUM SALT, (R)-
Common Name English
L-GLUTAMIC ACID, N-(4-(2-(2-AMINO-3,4,5,6,7,8-HEXAHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-6-YL)ETHYL)BENZOYL)-, DISODIUM SALT, (R)-
Common Name English
LOMETREXOL SODIUM [USAN]
Common Name English
DISODIUM N-(P-(2-((R)-2-AMINO-3,4,5,6,7,8-HEXAHYDRO-4-OXOPYRIDO(2,3-D)PYRIMIDIN-6-YL)ETHYL)BENZOYL)-L-GLUTAMATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2692
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
NCI_THESAURUS C511
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
Code System Code Type Description
USAN
BB-43
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
PRIMARY
PUBCHEM
135508134
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
PRIMARY
FDA UNII
US81N1145T
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
PRIMARY
NSC
722969
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
PRIMARY
NCI_THESAURUS
C90623
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
PRIMARY
DRUG BANK
DBSALT002383
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID90923390
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
PRIMARY
CAS
120408-07-3
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL34412
Created by admin on Fri Dec 15 15:52:25 UTC 2023 , Edited by admin on Fri Dec 15 15:52:25 UTC 2023
PRIMARY