MOXIDECTIN, 4-HYDROXYMETHYL-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H53NO9
Molecular Weight	655.818
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of MOXIDECTIN, 4-HYDROXYMETHYL-

Structure Search

SMILES

CO\N=C1/C[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(CO)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@@H]([C@H]1C)C(\C)=C\C(C)C

InChI

InChIKey=HWNCVHLHEVLNGD-KELHYETGSA-N

InChI=1S/C37H53NO9/c1-21(2)13-24(5)33-25(6)31(38-43-7)18-36(47-33)17-29-16-28(46-36)12-11-23(4)14-22(3)9-8-10-27-20-44-34-32(40)26(19-39)15-30(35(41)45-29)37(27,34)42/h8-11,13,15,21-22,25,28-30,32-34,39-40,42H,12,14,16-20H2,1-7H3/b9-8+,23-11+,24-13+,27-10+,38-31+/t22-,25-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H53NO9
Molecular Weight	655.818
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:47:49 GMT 2025` Edited by `admin` on `Wed Apr 02 10:47:49 GMT 2025`
Record UNII	GN2HV4R27L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(6R,25S)-5-O-DEMETHYL-28-DEOXY-25-((E)-1,3-DIMETHYL-1-BUTENYL)-6,28-EPOXY-4-HYDROXXYMETHYL-23-OXOMILBEMYCIN B 23-(E)-(O-METHYLOXIME)

Preferred Name

English

MOXIDECTIN, 4-HYDROXYMETHYL-

Common Name

English

MOXIDECTIN METABOLITE M1

Common Name

English

Code System Code Type Description

PUBCHEM

156613858

Created by admin on Wed Apr 02 10:47:49 GMT 2025 , Edited by admin on Wed Apr 02 10:47:49 GMT 2025

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FDA UNII

GN2HV4R27L

Created by admin on Wed Apr 02 10:47:49 GMT 2025 , Edited by admin on Wed Apr 02 10:47:49 GMT 2025

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MOXIDECTIN

PARENT -> METABOLITE