AG00HCQ4

113507-06-5 | Milbemycin B,5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-butenyl]-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S)-

AG00HCQ4

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CAS Number	113507-06-5
Catalog Number	AG00HCQ4(AGN-PC-0P4YPX)
Chemical Name	Milbemycin B,5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-butenyl]-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S)-
IUPAC Name	(1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
InChI	InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1
InChI Key	YZBLFMPOMVTDJY-LSGXYNIPSA-N
MDL Number	MFCD00866560
Molecular Formula	C37H53NO8
Molecular Weight	639.8186
SMILES	CC(/C=C([C@H]1O[C@]2(C/C([C@@H]1C)=N/OC)C[C@H]3OC([C@@H]4C=C([C@H]([C@H]5OC/C([C@@]45O)=CC=C[C@@H](C/C(C)=C/C[C@@H](O2)C3)C)O)C)=O)C)C
UNII	NGU5H31YO9
Synonyms	5-hydroxymilbemycin beta7, CL 301,423, CL 301423, Cydectin, milbemectin, milbemycin, milbemycin A3, milbemycin A4, milbemycin alpha1, milbemycin alpha10, milbemycin alpha11, milbemycin alpha13, milbemycin alpha14, milbemycin alpha15, milbemycin alpha2, milbemycin alpha3, milbemycin alpha4, milbemycin alpha5, milbemycin alpha6, milbemycin alpha7, milbemycin alpha8, milbemycin alpha9, milbemycin B, milbemycin beta1, milbemycin beta12, milbemycin beta2, milbemycin beta3, milbemycin D, milbemycins, moxidectin, Moxidectin, 113507-06-5, UNII-NGU5H31YO9, Cydectin, ProHeart 6, NGU5H31YO9, Moxidectine [INN-French], Moxidectinum [INN-Latin], Moxidectina [INN-Spanish], C37H53NO8, Moxidectina, Moxidectine, Moxidectinum, Moxidectin [USAN:INN:BAN], (2aE,4E,5'R,6R,6'S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-6'-((E)-1,3-Dimethyl-1-butenyl)-5',6,6',7,10,11,14,15,17a,20,20a,20b-dodecahydro-20,20b-dihydroxy-5',6,8,19-tetramethylspiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran)-4',17(3'H)-dione 4'-(E)-(O-methyloxime), (6R,25S)-5-O-Demethyl-28-deoxy-25-((E)-1,3-dimethyl-1-butenyl)-6,28-epoxy-23-oxomilbemycin B 23-(E)-(O-methyloxime), Moxidectin (USAN/INN), CHEMBL2104415, SCHEMBL13112872, HY-B0777, Milbemycin B, 5-O-demethyl-28-deoxy-25-((1E)-1,3-dimethyl-1-butenyl)-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S)-, Milbemycin B, 5-O-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S(E))-, MFCD00866560, AKOS025401990, ZINC253476173, CS-3080, AC-27773, AS-17881, CL301423, AB0021112, CL-301423, V2325, D05084, Moxidectin, VETRANAL(TM), analytical standard, 507M065, Moxidectin, European Pharmacopoeia (EP) Reference Standard, Moxidectin, United States Pharmacopeia (USP) Reference Standard, Moxidectin, Pharmaceutical Secondary Standard; Certified Reference Material, Moxidectin for system suitability, European Pharmacopoeia (EP) Reference Standard, (2aE,2'R,4E,4'E,5'S,6R,6'S,8E,11R,15S,17aR,20R,20aR,20bS)-6'-[(1E)-1,3-Dimethylbut-1-enyl]-20,20b-dihydroxy-4'-(methoxyimino)-5',6,8,19-tetramethyl-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradeca, hydrospiro[2H,17H-11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-17-one, Moxidectin?, Moxidectin [USAN:INN], D01ORS, Moxidectin, 98% - 25MG 25mg, C37-H53-N-O8, 23-methyloxime LL-F282249-alpha, ACN-036885, CID9832912, CL 301,423, Milbemycin B, 5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-butenyl]-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S)-,

Complexity	1340
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	5
Exact Mass	639.377g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	639.83g/mol
Monoisotopic Mass	639.377g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	116A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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