(Q27278644)

Exametazime (English)

technetium Tc-99m exametazime

18 November 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₃H₂₈N₄O₂

1 reference

Exametazime (English)

18 November 2016

canonical SMILES

CC(C(=NO)C)NCC(C)(C)CNC(C)C(=NO)C

1 reference

Exametazime (English)

18 November 2016

isomeric SMILES

C[C@@H](NCC(CN[C@@H](/C(=N/O)/C)C)(C)C)/C(=N/O)/C

1 reference

Exametazime (English)

InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10-/m1/s1

18 November 2016

Identifiers

InChI

1 reference

Exametazime (English)

18 November 2016

2 references

Exametazime (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

105613-48-7

2 references

Global Substance Registration System

exametazime (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=105613-48-7

8 April 2021

1 reference

d,l-HM-PAO (English)

18 November 2016

2 references

Exametazime (English)

18 November 2016

ChEBI ID

31586

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10-/m1/s1

1 reference

CHEMBL1615781 (English)

18 November 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

exametazime (English)

18 November 2016

1 reference

6 July 2021

CAS no.: 105613-48-7 (English)

Exametazime (English)

DB11179

1 reference

2 references

Global Substance Registration System

exametazime (English)

18 November 2016