benzathine benzylpenicillin (Q868435)

inferred from isomeric SMILES

German Wikipedia

mass

908.3601047519999 dalton

1 reference

based on heuristic

chemical formula

C₄₈H₅₆N₆O₈S₂

2 references

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2

1 reference

PubChem

isomeric SMILES

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C.c1ccc(cc1)CNCCNCc2ccccc2

0 references

pregnancy category

US pregnancy category B

1 reference

‎WHO Aware Classification

English Wikipedia

subject has role

essential medicine

0 references

access

1 reference

2023 ‎AWaRe classification‎

related image

Bicillin L-A (Benzylpenicillin).jpg
2,048 × 1,536; 413 KB

0 references

Identifiers

InChI

InChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12 ,14-;/m11./s1

1 reference

PubChem

2 references

PubChem

ChEBI release 2020-09-01

CAS Registry Number

1538-09-6

1 reference

0 references

1 reference

German Wikipedia

ChEBI ID

51352

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12 ,14-;/m11./s1

ChEMBL ID

CHEMBL1200651

1 reference

2 references

inferred from InChIKey

SCHEMBL34090

2 references

based on heuristic

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.014.782

retrieved

27 December 2018

title

Benzathine benzylpenicillin (English)

quotation

CAS no.: 1538-09-6 (English)

ECHA Substance Infocard ID

100.014.782

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.014.782

retrieved

27 December 2018

title

Benzathine benzylpenicillin (English)

quotation

CAS no.: 1538-09-6 (English)

0 references

0 references

0 references

1 reference

Immune Epitope Database and Analysis Resource

0 references

1 reference

1 March 2022

1 reference

6 April 2020

electronic Essential Medicines List medicine ID

0 references

1 reference

28 October 2013

Microsoft Academic ID

2781165045

0 references

Römpp online ID

RD-02-00939

1 reference