Avermectin A1a, 5-O-Demethyl-25-de(1-methylpropyl)-25-(1-methylethyl)-

Abamectin B1B

HCID 6858005CAS 65195-56-4
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Grundinformationen

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(C=C[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
ZFUKERYTFURFGA-PVVXTEPVSA-N
Summenformel
C47H70O14
Durchschnittliche Molmasse
859 g/mol
Monoisotopische Masse
858,47655692

Überblick

Avermectin B1b is an avermectin.

Namen und Bezeichner

Bevorzugter Name
Abamectin B1B
IUPAC
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
Lokaler Name
Avermectin A1a, 5-O-Demethyl-25-de(1-methylpropyl)-25-(1-methylethyl)-
Englischer Name
Avermectin B1b
Summenformel
C47H70O14
Molmasse
859.05

Namen und Synonyme

Avermectin B1bAbamectin B1babamectin component B1bAbamectin komponente B1bUNII-W8DT67027WAntibiotic C 076B(sub 1b)W8DT67027WEINECS 265-611-9Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-25-(1-methylethyl)-IVERMECTIN IMPURITY B (EP IMPURITY)IVERMECTIN IMPURITY B [EP IMPURITY]RefChem:6605
Weitere Namen anzeigen
C-076B1bAviparazine B1bAntibiotic C-076B1bDolamectin Impurity 2Ivermectin Impurity B(EP)Ivermectin - Impurity B (EP/BP)Avermectin B1b 100 μg/ml Acetonitrile
265-611-965195-56-4Ivermectin EP Impurity BC47H70O14AvermectinB1bAbamectin B1b (~90%)(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one5-O-Demethyl-25-de(1-methylpropyl)-25-(1-methylethyl)avermectin A1a

Datenbank-Bezeichner

CAS
65195-56-4
PubChem CID
6858005
DTXSID
DTXSID4058239
ChEMBL
CHEMBL2079552
ChEBI
CHEBI:29537
UNII
W8DT67027W
EC Number
265-611-9
Nikkaji
J33.375A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
170 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
14
Frei drehbare Bindungen
7
Schwere Atome
61

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Antibiotics
LipidsPolyketides [PK] -> Macrolides and lactone polyketides [PK04]
PesticidesAcaricides, Insecticides

Physikochemische Eigenschaften

Siedepunkt
934.6 · 934.6±65.0 °C(Predicted)
Dichte
1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
Löslichkeit
Soluble in DMSO
Aggregatzustand
solid
pka
12.42 · 12.42±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300+H330 (96.6%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]

P203, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 2 (100%)

Toxikologische Informationen

Health EffectsAvermectins are neurotoxic and have reproductive and developmental effects. (L1826)
Toxicity SummaryIt has low solubility in water and extensive non-specific binding. It opens GABA-insensitive chloride channels, reducing membrane resistance and increasing conductance inward. (T10)
Signs and SymptomsAvermectins cause irritation of skin and eyes, central nervous system depression (incoordination, tremors, lethargy, excitation, pupil dilation, coma), vomiting, convulsions and/or tremors, and respiratory failure at high doses. (L1826)
Carcinogen ClassificationNot listed by IARC.

Sicherheitsdaten

ridadr
2588
hazard_class
6.1(a)
packing_group
II

Chemie und Industrie

Verwendung und Herstellung

UsesActive ingredient in some commercial ant bait traps. (L829)
Use ClassificationAcaricides, Insecticides

Anwendungen

VerwendenAvermectin B1b is the minor component (

Anbieter45 Anbieter

济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

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