cefsulodin (Q2943815)

PubChem

canonical SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N

1 reference

PubChem

isomeric SMILES

C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(=O)O)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N

0 references

subject has role

antibiotic

1 reference

‎WHO Aware Classification

Medical Subject Headings

MeSH descriptor ID

D002441

retrieved

15 March 2018

watch

1 reference

2023 ‎AWaRe classification‎

Identifiers

InChI

InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1

0 references

1 reference

ChEBI release 2020-09-01

CAS Registry Number

62587-73-9

1 reference

https://commonchemistry.cas.org/detail?cas_rn=62587-73-9

9 April 2021

0 references

1 reference

57514697

1 reference

ChEBI ID

3507

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/t15-,17-,21-/m1/s1

ChEMBL ID

CHEMBL1617285

1 reference

imported from Wikimedia project

2 references

inferred from InChIKey

DSSTox substance ID

DTXSID6022769

2 references

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

DSSTOX compound identifier

DTXCID002769

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ATC code

J01DD03

0 references

Guide to Pharmacology Ligand ID

10783

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

Cefsulodin

0 references

MeSH tree code

D02.065.589.099.249.185

0 references

D02.886.665.074.185

0 references

D03.633.100.300.249.185

0 references

1 reference

6 July 2021

CAS no.: 62587-73-9 (English)

title

Cefsulodin (English)

DB13499

1 reference

UNII

OV42LHE42B

1 reference