N-Desmethyl-6-O-methylerythromycin (9E)-Oxime

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H68N2O13
Molecular Weight	748.9414
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-Desmethyl-6-O-methylerythromycin (9E)-Oxime

Structure Search

SMILES

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](NC)[C@H]3O)[C@@](C)(C[C@@H](C)\C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O)OC

InChI

InChIKey=MPBKKWQXSHKTAP-UXZNNQEFSA-N

InChI=1S/C37H68N2O13/c1-14-25-37(10,44)30(41)20(4)27(39-45)18(2)16-36(9,47-13)32(52-34-28(40)24(38-11)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-35(8,46-12)31(42)23(7)49-26/h18-26,28-32,34,38,40-42,44-45H,14-17H2,1-13H3/b39-27+/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H68N2O13
Molecular Weight	748.9414
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:52:34 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:34 GMT 2023`
Record UNII	5PE8D5UL6J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-Desmethyl-6-O-methylerythromycin (9E)-Oxime

Common Name

English

(3R,4S,5S,6R,7R,9R,11S,12R,13S,14R,E)-14-ethyl-12,13-Dihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-6-(((2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-10-(hydroxyimino)-7-methoxy-3

Systematic Name

English

Erythromycin, N-demethyl-6-O-methyl-, 9-oxime, (9E)-

Systematic Name

English

3′′-N-Demethyl-6-O-methylerythromycin A (E)-9-oxime

Systematic Name

English

Code System Code Type Description

PUBCHEM

11029029

Created by admin on Sat Dec 16 19:52:35 GMT 2023 , Edited by admin on Sat Dec 16 19:52:35 GMT 2023

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FDA UNII

5PE8D5UL6J

Created by admin on Sat Dec 16 19:52:35 GMT 2023 , Edited by admin on Sat Dec 16 19:52:35 GMT 2023

PRIMARY

CAS

127182-43-8

Created by admin on Sat Dec 16 19:52:35 GMT 2023 , Edited by admin on Sat Dec 16 19:52:35 GMT 2023

PRIMARY