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

[H][C@@]12OC\C3=C/C=C/[C@H](C)C\C(C)=C\C[C@@H]4C[C@@H](C[C@]5(C\C(=N/OC)[C@H](C)[C@H](O5)C(\C)=C\C(C)C)O4)OC(=O)[C@H](C=C(CO)[C@H]1O)[C@@]23O

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 `Sat Dec 16 18:20:59 GMT 2023` Edited by `admin` on `Sat Dec 16 18:20:59 GMT 2023`
Record UNII	GN2HV4R27L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOXIDECTIN, 4-HYDROXYMETHYL-

Common Name

English

(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)

Common Name

English

MOXIDECTIN METABOLITE M1

Common Name

English

Code System Code Type Description

PUBCHEM

156613858

Created by admin on Sat Dec 16 18:20:59 GMT 2023 , Edited by admin on Sat Dec 16 18:20:59 GMT 2023

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FDA UNII

GN2HV4R27L

Created by admin on Sat Dec 16 18:20:59 GMT 2023 , Edited by admin on Sat Dec 16 18:20:59 GMT 2023

PRIMARY

Related Record Type Details


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MOXIDECTIN

PARENT -> METABOLITE