propicillin (Q7250320)

(1-Phenoxypropyl)penicillin (English)

20 September 2016

0 references

C₁₈H₂₂N₂O₅S

1 reference

(1-Phenoxypropyl)penicillin (English)

20 September 2016

canonical SMILES

CCC(C(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O)OC3=CC=CC=C3

1 reference

(1-Phenoxypropyl)penicillin (English)

20 September 2016

isomeric SMILES

CCC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3

0 references

subject has role

antibiotic

1 reference

Medical Subject Headings

MeSH descriptor ID

C100135

‎WHO Aware Classification

15 March 2018

access

1 reference

2023 ‎AWaRe classification‎

Commons category

Propicillin

0 references

Identifiers

InChI

InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1

0 references

1 reference

ChEBI release 2020-09-01

CAS Registry Number

551-27-9

1 reference

https://commonchemistry.cas.org/detail?cas_rn=551-27-9

9 April 2021

0 references

1 reference

Reaxys registry number

1092883

0 references

ChEBI ID

52429

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C18H22N2O5S/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24)/t11?,12-,13+,16-/m1/s1

1 reference

CHEMBL1477112 (English)

20 September 2016

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.178

27 December 2018

ECHA Substance Infocard ID

Propicillin (English)

quotation

CAS no.: 551-27-9 (English)

100.008.178

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.178

27 December 2018

Propicillin (English)

quotation

CAS no.: 551-27-9 (English)

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

UNII

8X1R260V33

1 reference