(Q27269449)

Quinacillin (English)

18 November 2016

chemical formula

C₁₈H₁₆N₄O₆S

1 reference

Quinacillin (English)

18 November 2016

canonical SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)O)C(=O)O)C

1 reference

Quinacillin (English)

18 November 2016

isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=NC4=CC=CC=C4N=C3C(=O)O)C(=O)O)C

1 reference

Quinacillin (English)

InChI=1S/C18H16N4O6S/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28)/t11-,12+,15-/m1/s1

18 November 2016

subject has role

β-lactam antibiotic

0 references

Identifiers

InChI

1 reference

Quinacillin (English)

18 November 2016

1 reference

Global Substance Registration System

Quinacillin (English)

18 November 2016

2 references

quinacillin (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=1596-63-0

9 April 2021

1 reference

quinacillin (English)

18 November 2016

2 references

Quinacillin (English)

18 November 2016

ChEBI ID

192379

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C18H16N4O6S/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28)/t11-,12+,15-/m1/s1

1 reference

QUINACILLIN (English)

18 November 2016

2 references

inferred from InChIKey

1 reference

1 reference

Global Substance Registration System

EC number

216-481-7

1 reference

stated in

quinacillin (English)

ECHA Substance Infocard ID

18 November 2016

100.014.984

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.014.984

27 December 2018

Quinacillin (English)

quotation

CAS no.: 1596-63-0 (English)

Global Substance Registration System

2 references

stated in

quinacillin (English)

18 November 2016