TOBICILLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30N2O6S
Molecular Weight	510.602
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)OC4=CC(COC(=O)C(C)C)=CC=C4

InChI

InChIKey=MGKUHWMKIYHWOJ-AOHZBQACSA-N

InChI=1S/C27H30N2O6S/c1-16(2)25(32)34-15-18-11-8-12-19(13-18)35-26(33)22-27(3,4)36-24-21(23(31)29(22)24)28-20(30)14-17-9-6-5-7-10-17/h5-13,16,21-22,24H,14-15H2,1-4H3,(H,28,30)/t21-,22+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H30N2O6S
Molecular Weight	510.602
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www.genome.jp/dbget-bin/www_bget?dr:D01214
Curator's Comment: Description was created, based on several sources, including https://www.jstage.jst.go.jp/article/fishsci1994/63/5/63_5_741/_pdf

Tobicillin (TBPC) is an ester derivative of penicillin G. It is a beta-Lactam antibiotic, peptidoglycan biosynthesis inhibitor. TBPC was shown to be the effective antibiotic for the treatment of enterococcicosis in yellowtail.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Peptidoglycan biosynthesis 20 Target ID: map00550 Sources: http://www.genome.jp/dbget-bin/www_bget?dr:D01214	Inhibitor 8297

Conditions

Condition	Modality	Targets	Highest Phase	Product
Bacterial infections 234 Sources: http://www.genome.jp/dbget-bin/www_bget?dr:D01214	Curative		Basic research	Unknown Approved Use Unknown

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

MIC90 of Tobicillin against E. seriolicida - >/=100ug/ml

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:43:25 GMT 2023` Edited by `admin` on `Fri Dec 15 15:43:25 GMT 2023`
Record UNII	2P43Z53ESB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TOBICILLIN

Official Name

English

tobicillin [INN]

Common Name

English

TOBICILLIN [JAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1500