LEFAMULIN ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H45NO5S.C2H4O2
Molecular Weight	567.778
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.[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=WSMXIQXWHPSVDE-QALMONEZSA-N

InChI=1S/C28H45NO5S.C2H4O2/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;1-2(3)4/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3;1H3,(H,3,4)/t16?,17-,18+,20+,21+,22+,24-,25-,26+,27-,28-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 10:02:38 UTC 2023` Edited by `admin` on `Sat Dec 16 10:02:38 UTC 2023`
Record UNII	HDN0B924X4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LEFAMULIN ACETATE

Official Name

English

LEFAMULIN ACETATE [USAN]

Common Name

English

Lefamulin acetate [WHO-DD]

Common Name

English

BC-3781.AC

Code

English

ACETATE SALT OF (3AS,4R,5S,6S,8R,9R,9AR, 10R)-6-ETHENYL-5-HYDROXY-4,6,9,10- TETRAMETHYL-1-OXODECAHYDRO-3A,9-PROPANO-3AH-CYCLOPENTA(8)ANNULEN-8-YL (((1R,2R,4R)-4-AMINO-2-HYDROXYCYCLOHEXYL)SULFANYL)ACETATE ESTER

Systematic 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, ACETATE (1:1)

Systematic Name

English

XENLETA

Brand Name

English

LEFAMULIN ACETATE [ORANGE BOOK]

Common Name

English

Code System Code Type Description

NCI_THESAURUS

C170100