Grundinformationen
- Standard-SMILES
CC1=C(/C=C\C2=CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)CC1- InChIKey
YUGCAAVRZWBXEQ-WHTXLNIXSA-N- Summenformel
- C27H44O
- Durchschnittliche Molmasse
- 384,6 g/mol
- Monoisotopische Masse
- 384,33921602
Namen und Bezeichner
- Bevorzugter Name
- Previtamin D3
- IUPAC
- (1S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
Namen und Synonyme
previtamin D3Previtamin D(3)1173-13-3PrecholecalciferolPrecalciferolPrevitamin Dpre-vitamin D3(6Z)-tacalciolHDA46400N5(6Z)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-olCHEBI:8403DTXSID90862573
Weitere Namen anzeigen
(3S,6Z)-9,10-secocholesta-5(10),6,8-trien-3-oltachysterol(3)RefChem:868495DTXCID401527057(1S)-3-((Z)-2-((1R,7aR)-7a-methyl-1-((2R)-6-methylheptan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl)ethenyl)-4-methylcyclohex-3-en-1-ol1,25-dihydroxy-3-epi-19-nor-previtamin D3214-634-2Previtamin D3 (>80%)
Datenbank-Bezeichner
- CAS
1173-13-3- PubChem CID
- 5281058
- DTXSID
DTXSID90862573- ChEBI
CHEBI:8403- UNII
- HDA46400N5
- EC Number
- 214-634-2
- Nikkaji
- J16.363E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,7
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 622
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300+H310+H330 (100%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H310 (100%): Fatal in contact with skin [Danger Acute toxicity, dermal]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 2 (100%)；Acute Tox. 2 (100%)；Acute Tox. 2 (100%)；STOT RE 2 (100%)
Zugehörige Reaktionen
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Verknüpfte Notizen
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