U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H51NO9
Molecular Weight 641.7914
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of MOXIDECTIN, (O-DEMETHYL, 8-HYDROXYMETHYL)-

SMILES

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

InChI

InChIKey=SECFRFQCRSQQPB-XNEJHXLQSA-N
InChI=1S/C36H51NO9/c1-20(2)12-23(5)32-24(6)30(37-42)17-35(46-32)16-28-15-27(45-35)11-10-25(18-38)13-21(3)8-7-9-26-19-43-33-31(39)22(4)14-29(34(40)44-28)36(26,33)41/h7-10,12,14,20-21,24,27-29,31-33,38-39,41-42H,11,13,15-19H2,1-6H3/b8-7+,23-12+,25-10-,26-9+,37-30+/t21-,24-,27+,28-,29-,31+,32+,33+,35-,36+/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H51NO9
Molecular Weight 641.7914
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 15:08:30 GMT 2023
Edited
by admin
on Sat Dec 16 15:08:30 GMT 2023
Record UNII
TF5ZR98YDV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOXIDECTIN, (O-DEMETHYL, 8-HYDROXYMETHYL)-
Common Name English
MOXIDECTIN METABOLITE I (HYDROXYLATION AND O-DEMETHYLATION METABOLITE)
Common Name English
MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-25-(1,3-DIMETHYL-1-BUTENYL)-6,28-EPOXY-30-HYDROXY-23-(HYDROXYIMINO)-, (6R,23E,25S(E))-
Common Name English
CL-189024
Code English
CL 189,024
Code English
Code System Code Type Description
CAS
156731-82-7
Created by admin on Sat Dec 16 15:08:30 GMT 2023 , Edited by admin on Sat Dec 16 15:08:30 GMT 2023
PRIMARY
FDA UNII
TF5ZR98YDV
Created by admin on Sat Dec 16 15:08:30 GMT 2023 , Edited by admin on Sat Dec 16 15:08:30 GMT 2023
PRIMARY
PUBCHEM
137528281
Created by admin on Sat Dec 16 15:08:30 GMT 2023 , Edited by admin on Sat Dec 16 15:08:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE