MILBEMYCIN A4 5-OXIME

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H45NO7
Molecular Weight	555.7022
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/CO[C@@H]5C(=NO)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2

InChI

InChIKey=YCAZFHUABUMOIM-JUBNYKKYSA-N

InChI=1S/C32H45NO7/c1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35/h7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9+,33-28-/t19-,21-,24+,25-,26-,27+,29+,31+,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H45NO7
Molecular Weight	555.7022
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Dirofilaria immitis 1 Target ID: Dirofilaria immitis Sources: https://www.ncbi.nlm.nih.gov/pubmed/1368759	Inhibitor 8504
chloride channel activity 4 Target ID: GO:0005254 Sources: https://www.toku-e.com/Milbemycin-A4-oxime-P3225.aspx \| https://www.scbt.com/scbt/product/milbemycin-a4-oxime-93074-04-5	Activator 1447

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:27:21 GMT 2025` Edited by `admin` on `Mon Mar 31 18:27:21 GMT 2025`
Record UNII	6ZWJ394628
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(6R,25R)-5-DEMETHOXY-28-DEOXY-6,28-EPOXY-25-ETHYL-5-(HYDROXYIMINO)MILBEMYCIN B

Preferred Name

English

MILBEMYCIN A4 5-OXIME

Common Name

English

MILBEMYCIN B, 5-DEMETHOXY-28-DEOXY-6,28-EPOXY-25-ETHYL-5-(HYDROXYIMINO)-, (6R,25R)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C276