3-Desoxy-3-carboxamidonaltrexone
Grundinformationen
- CAS
421552-35-4- Standard-SMILES
NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314- InChIKey
QAICPHMNUHNDMC-PIBUYISVNA-N- Summenformel
- C21H24N2O4
- Durchschnittliche Molmasse
- 368,4 g/mol
- Monoisotopische Masse
- 368,17360725
Namen und Bezeichner
- Bevorzugter Name
- 3-Desoxy-3-carboxamidonaltrexone
- IUPAC
- (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carboxamide
- Englischer Name
- Samidorphan
- Summenformel
- C21H24N2O4
- Molmasse
- 368.43
Namen und Synonyme
421552-35-43-desoxy-3-carboxamidonaltrexone3-CarboxamidonaltrexoneCHEMBL56695(4R,4aS,7aR,12bS)-3-(Cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carboxamideNaltrexone Impurity 808HM2B5K3BRSCHEMBL2785528QAICPHMNUHNDMC-WUHBCXKYSA-NARD193879BDBM50128411PD181366
Weitere Namen anzeigen
SamidorphanSamidorphan N-1Samidorphan ImpuritySamidorphan Impurity 30Morphinan-3-carboxamide, 17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxo-, (5α)-
HY-170033(5a)-17-(cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-carboxamide(5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-carboxamide17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-carboxamide, (5alpha)-5a)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-carboxamideMorphinan-3-carboxamide, 17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxo-, (5alpha)-4-cyclopropylmethyl-17-hydroxy-14-oxo-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10-carboxamideSamidorphan SA-05 impurity; Morphinan-3-carboxamide, 17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxo-, (5a)- (9CI, ACI); (5a)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxomorphinan-3-carboxamide (ACI)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 92,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 708
Physikochemische Eigenschaften
- Siedepunkt
- 547.2 · 547.2±50.0 °C(Predicted)
- Dichte
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 13.22 · 13.22±0.20(Predicted)
- InChIKey
- QAICPHMNUHNDMC-PIBUYISVNA-N
- SMILES
- O[C@]12CCC(=O)[C@]3([H])OC4=C(C=CC5C[C@@]1([H])N(CC1CC1)CC[C@@]23C4=5)C(=O)N |&1:1,6,15,24,r|
Chemie und Industrie
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Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
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Guangzhou Tosun Pharmaceutical Ltd+86-020-61855200-902 +86-18124244216 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
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