lometrexol sodium (Q27291243)

Lometrexol sodium (English)

14 October 2016

chemical formula

C₂₁H₂₃N₅Na₂O₆

1 reference

Lometrexol sodium (English)

14 October 2016

canonical SMILES

C1C(CNC2=C1C(=O)N=C(N2)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

1 reference

Lometrexol sodium (English)

14 October 2016

isomeric SMILES

C1[C@H](CNC2=C1C(=O)N=C(N2)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

1 reference

Lometrexol sodium (English)

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

14 October 2016

Identifiers

InChI

1 reference

Lometrexol sodium (English)

SVJSWELRJWVPQD-KJWOGLQMSA-L

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Lometrexol sodium (English)

14 October 2016

1 reference

UNII

US81N1145T

lometrexol sodium (English)

14 October 2016

1 reference

Lometrexol sodium (English)

14 October 2016

1 reference

Lometrexol sodium (English)

14 October 2016

1 reference

matched by identifier from

LOMETREXOL SODIUM (English)

14 October 2016

2 references

inferred from InChIKey

InChIKey

SVJSWELRJWVPQD-KJWOGLQMSA-L

DSSTox substance ID

DTXSID90923390

0 references

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

US81N1145T

lometrexol sodium (English)