Ivermectin B1b

HCID 6321425CAS 70209-81-3

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Basic information

Standard SMILES
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O
InChIKey
VARHUCVRRNANBD-PVVXTEPVSA-N
Molecular formula
C47H72O14
Average molar mass
861.079 g/mol
Monoisotopic mass
860.49220698

Names & identifiers

Preferred name
Ivermectin B1b
IUPAC
[2'R,2a(3)E,4E,5'S,6S,6'R,7S,8E,11R,15S,17aR,20R,20aR,20bS]-20,20b-Dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-6,10,11,14,15,17,17a,20,20a,20b-decahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-oxan]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside
English name
Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-
Molecular formula
C47H72O14
Molecular weight
861.07

Names & synonyms

Ivermectin B1bComponent B1bIvermectinH2B1bavermectin H2B1bDihydroavermectin B1b22,23-Dihydroavermectin B1b22,23- dihydroavermectin B1b (Ivermectin B1b)22,23-Dihydro-34-nor-5-O-demethylavermectin A1aDihydroaverMectin B1b, 22,23-DihydroaverMectin B1b22,23-Dihydro-5-O-demethyl-25-de(1-methylpropyl)-25-isopropylavermectin A1a

Database identifiers

CAS
70209-81-3
PubChem CID
6321425
DTXSID
DTXSID3023182
ChEBI
CHEBI:63943
UNII
0W28CYI3TU
EC Number
274-384-5

Properties

Physicochemical properties

Boiling point
934.1 · 934.1±65.0 °C(Predicted)
Density
1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
solubility
DMF: Soluble; DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
form
A solid
pka
12.42 · 12.42±0.70(Predicted)

Safety & regulation

Safety data

ridadr
2588
hazard_class
6.1(a)
packing_group
II

Chemistry & industry

Applications · 2 items

UsesIvermectin B1b is a minor component of Ivermectin (I940800), a semi-synthetic derivative of Abamectin; consists of a mixture of not less than 80% component B1a and not more than 20% component B1b. Antihelmintic (Onchocerca). An invitro inhibitor of SARS-CoV-2/ Covid-19.

UsesIvermectin B1b (dihydroavermectin B1b) is the minor component (

Suppliers31 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]

Additional notes

DefinitionChEBI: A macrocyclic lactone that is avermectin B1b in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the minor component of ivermectin.

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