cefdaloxime (Q5057227)

Cefdaloxime (English)

18 November 2016

chemical formula

C₁₄H₁₅N₅O₆S₂

1 reference

Cefdaloxime (English)

18 November 2016

canonical SMILES

COCC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O

1 reference

Cefdaloxime (English)

18 November 2016

isomeric SMILES

COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O

1 reference

Cefdaloxime (English)

InChI=1S/C14H15N5O6S2/c1-25-2-5-3-26-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-27-14(15)16-6/h4,8,12,24H,2-3H2,1H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1

18 November 2016

Identifiers

InChI

1 reference

Cefdaloxime (English)

18 November 2016

2 references

Cefdaloxime (English)

Global Substance Registration System

18 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

80195-36-4

2 references

stated in

UNII

6856HDT30F

cefdaloxime (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=80195-36-4

9 April 2021

1 reference

Cefdaloxime (English)

18 November 2016

2 references

Cefdaloxime (English)

18 November 2016

ChEBI ID

140109

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C14H15N5O6S2/c1-25-2-5-3-26-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-27-14(15)16-6/h4,8,12,24H,2-3H2,1H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1

1 reference

CEFDALOXIME (English)

18 November 2016

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

6856HDT30F

cefdaloxime (English)

18 November 2016