N-ACETYL-3-O-DE(2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL)-N-DEMETHYL-9-DEOXO-9-HYDROXYERYTHROMYCIN, (9S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H55NO11
Molecular Weight	605.7578
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ACETYL-3-O-DE(2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL)-N-DEMETHYL-9-DEOXO-9-HYDROXYERYTHROMYCIN, (9S)-

Structure Search

SMILES

[H][C@@]2(O[C@@H]1[C@@H](C)[C@H](O)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@]1(C)O)O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)=O

InChI

InChIKey=YYAIHIDSVFXXHN-CIHMTEDYSA-N

InChI=1S/C30H55NO11/c1-11-21-30(9,39)25(36)16(4)22(33)14(2)13-29(8,38)26(17(5)23(34)18(6)27(37)41-21)42-28-24(35)20(12-15(3)40-28)31(10)19(7)32/h14-18,20-26,28,33-36,38-39H,11-13H2,1-10H3/t14-,15-,16+,17+,18-,20+,21-,22+,23+,24-,25-,26-,28+,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H55NO11
Molecular Weight	605.7578
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:32:51 GMT 2023` Edited by `admin` on `Sat Dec 16 11:32:51 GMT 2023`
Record UNII	5P8VR47M4P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-ACETYL-3-O-DE(2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL)-N-DEMETHYL-9-DEOXO-9-HYDROXYERYTHROMYCIN, (9S)-

Systematic Name

English

ERYTHROMYCIN, N-ACETYL-3-O-DE(2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL)-N-DEMETHYL-9-DEOXO-9-HYDROXY-, (9S)-

Systematic Name

English

N-((2S,3R,4S,6R)-2-(((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ETHYL-4,7,10,12,13-PENTAHYDROXY-3,5,7,9,11,13-HEXAMETHYL-2-OXO-OXACYCLOTETRADEC-6-YL)OXY)-3-HYDROXY-6-METHYL-TETRAHYDROPYRAN-4-YL)-N-METHYL-ACETAMIDE

Systematic Name

English

(9S)-N-ACETYL-3-O-DE(2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL)-N-DEMETHYL-9-DEOXO-9-HYDROXYERYTHROMYCIN

Systematic Name

English

Z-104657A

Code

English

Code System Code Type Description

CAS

654076-73-0

Created by admin on Sat Dec 16 11:32:51 GMT 2023 , Edited by admin on Sat Dec 16 11:32:51 GMT 2023

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FDA UNII

5P8VR47M4P

Created by admin on Sat Dec 16 11:32:51 GMT 2023 , Edited by admin on Sat Dec 16 11:32:51 GMT 2023

PRIMARY

PUBCHEM

11505364

Created by admin on Sat Dec 16 11:32:51 GMT 2023 , Edited by admin on Sat Dec 16 11:32:51 GMT 2023

PRIMARY

Related Record Type Details


					5P8VR47M4P

N-ACETYL-3-O-DE(2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL)-N-DEMETHYL-9-DEOXO-9-HYDROXYERYTHROMYCIN, (9S)-

ACTIVE MOIETY

Comments:

Class: Macrolide; Mechanism of Action: Undefined mechanism; Highest Development Phase: Phase I for Inflammation; Most Recent Events: 06 Sep 2004 Data presented at the 18th International Symposium of Medicinal Chemistry (ISMC-2004) have been added to the adverse events, pharmacokinetics and Inflammation pharmacodynamics sections, 29 Jul 2004 Preclinical trials in Chronic obstructive pulmonary disease in Europe (unspecified route)