Grundinformationen
- Standard-SMILES
COC12CCC3(CC1C(C)(O)C(C)(C)C)C1Cc4ccc(O)c5c4C3(CCN1CC1CC1)C2O5- InChIKey
RMRJXGBAOAMLHD-UHFFFAOYSA-N- Summenformel
- C29H41NO4
- Durchschnittliche Molmasse
- 467,6 g/mol
- Monoisotopische Masse
- 467,30355879
Überblick
See also: Buprenorphine (annotation moved to); Buprenorphine Hydrochloride (annotation moved to) ... View More ...
Namen und Bezeichner
- Bevorzugter Name
- 17-(Cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol
- IUPAC
- 5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Namen und Synonyme
DTXSID6086064717-(cyclopropylmethyl)-18-(2-hydroxy-3,3-dimethylbutan-2-yl)-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-olRefChem:1057603DTXCID30197311RX 6029MCHEMBL3580442SCHEMBL10031247SCHEMBL29473424RMRJXGBAOAMLHD-UHFFFAOYSA-N136781-89-0LFA78189NS00076923
Weitere Namen anzeigen
L001234Buprenorphine-d4 (cyclopropyl-2,2,3,3-d4) hydrochloride(1S,2S,6R,15S,16R)-5-(Cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol[5.alpha.,7.alpha.(S)]-17-(Cyclopropylmethyl)-.alpha.-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-.alpha.-methyl-6,14-ethenomorphinan-7-methanol6,14-Ethenomorphinan-7-methanol, 17-(cyclopropylmethyl)-.alpha.-(1,1-dimethylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-.alpha.-methyl-, (5-.alpha.,7-.alpha.-(S))-
Datenbank-Bezeichner
- CAS
136781-89-0- PubChem CID
- 2476
- DTXSID
DTXSID60860647- ChEMBL
CHEMBL3580442- EC Number
- 802-948-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5
- Polarare Oberfläche (TPSA)
- 62,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 869
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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. 3 (100%)
Zugehörige Reaktionen
1
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