LEFAMULIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H45NO5S
Molecular Weight	507.726
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LEFAMULIN

Structure Search

SMILES

[H][C@@]12C(=O)CC[C@]13CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CS[C@@H]4CC[C@@H](N)C[C@H]4O

InChI

InChIKey=KPVIXBKIJXZQJX-CSOZIWFHSA-N

InChI=1S/C28H45NO5S/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3/t16?,17-,18+,20+,21+,22+,24-,25-,26+,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H45NO5S
Molecular Weight	507.726
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:47:05 UTC 2023` Edited by `admin` on `Sat Dec 16 09:47:05 UTC 2023`
Record UNII	21904A5386
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

LEFAMULIN

Official Name

English

LEFAMULIN [USAN]

Common Name

English

ACETIC ACID, 2-(((1R,2R,4R)-4-AMINO-2-HYDROXYCYCLOHEXYL)THIO)-, (3AS,4R,5S,6S,8R,9R,9AR,10R)-6-ETHENYLDECAHYDRO-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-3A,9-PROPANO-3AH-CYCLOPENTACYCLOOCTEN-8-YL ESTER

Systematic Name

English

(+)-LEFAMULIN

Common Name

English

BC-3781

Code

English

Lefamulin [WHO-DD]

Common Name

English

lefamulin [INN]

Common Name

English

LEFAMULIN [MI]

Common Name

English

Code System Code Type Description

RXCUI

2198944

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

MERCK INDEX

m12169

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

ChEMBL

CHEMBL3291398

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

INN

9849

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

DAILYMED

21904A5386

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

LACTMED

Lefamulin

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

DRUG CENTRAL

5348

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

SMS_ID

100000176088

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

WIKIPEDIA

Lefamulin

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

FDA UNII

21904A5386

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

NCI_THESAURUS

C166531

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

DRUG BANK

DB12825

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

CAS

1061337-51-6

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

USAN

CD-31

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

PUBCHEM

58076382

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

EPA CompTox

DTXSID101027896

Created by admin on Sat Dec 16 09:47:06 UTC 2023 , Edited by admin on Sat Dec 16 09:47:06 UTC 2023

PRIMARY

Related Record Type Details


					O478WX4004

STAPHYLOCOCCUS AUREUS

TARGET ORGANISM->INHIBITOR


					65P5WPF3BJ

METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS

TARGET ORGANISM->INHIBITOR

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

21904A5386

LEFAMULIN

EXCRETED UNCHANGED

Comments:

Following IV administration

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:


					HDN0B924X4

LEFAMULIN ACETATE

SALT/SOLVATE -> PARENT


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

21904A5386

LEFAMULIN

EXCRETED UNCHANGED

Comments:

Following IV administration

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount:

Related Record Type Details

21904A5386

LEFAMULIN

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC