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

Details

Stereochemistry ABSOLUTE
Molecular Formula C44H56N2O11
Molecular Weight 788.9222
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 5-O-(4-NITROBENZOYL)MOXIDECTIN

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(C)[C@H]1OC(=O)C6=CC=C(C=C6)[N+]([O-])=O)[C@@]23O

InChI

InChIKey=DBSLHJSUKGSWRA-ACNUJRTCSA-N
InChI=1S/C44H56N2O11/c1-25(2)18-28(5)38-30(7)37(45-52-8)23-43(57-38)22-35-21-34(56-43)17-12-27(4)19-26(3)10-9-11-32-24-53-40-39(29(6)20-36(42(48)54-35)44(32,40)49)55-41(47)31-13-15-33(16-14-31)46(50)51/h9-16,18,20,25-26,30,34-36,38-40,49H,17,19,21-24H2,1-8H3/b10-9+,27-12+,28-18+,32-11+,45-37+/t26-,30-,34+,35-,36-,38+,39+,40+,43-,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula C44H56N2O11
Molecular Weight 788.9222
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 08:11:51 GMT 2023
Edited
by admin
on Sat Dec 16 08:11:51 GMT 2023
Record UNII
45ZLG4311I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-O-(4-NITROBENZOYL)MOXIDECTIN
Common Name English
MILBEMYCIN B, 5-O-DEMETHYL-28-DEOXY-25-((1E)-1,3-DIMETHYL-1-BUTEN-1-YL)-6,28-EPOXY-23-(METHOXYIMINO)-5-O-(4-NITROBENZOYL)-, (6R,23E,25S)-
Common Name English
5-O-(4-NITROBENZOYL)-23-METHOXIME-LL-F 28249.ALPHA.
Common Name English
MOXIDECTIN FOR VETERINARY USE IMPURITY K [EP IMPURITY]
Common Name English
MOXIDECTIN IMPURITY K
Common Name English
Code System Code Type Description
CAS
174756-99-1
Created by admin on Sat Dec 16 08:11:51 GMT 2023 , Edited by admin on Sat Dec 16 08:11:51 GMT 2023
PRIMARY
PUBCHEM
15135457
Created by admin on Sat Dec 16 08:11:51 GMT 2023 , Edited by admin on Sat Dec 16 08:11:51 GMT 2023
PRIMARY
FDA UNII
45ZLG4311I
Created by admin on Sat Dec 16 08:11:51 GMT 2023 , Edited by admin on Sat Dec 16 08:11:51 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
TEST B
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP