Cyprodime , CAS No.118111-54-9

CAS: 118111-54-9 Cat. No.: C668951 Summenformel: C22H29NO3 Molekulargewicht: 355.5 PubChem CID: 5748293
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Synonyms
Cyprodime|(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one|Morphinan-6-one, 17-(cyclopropylmethyl)-4,14-dimethoxy-|N-(Cyclopropylmethyl)-4,14-dimethoxymorphinan-6-one|17-(Cyclopropylmethyl)-4,14-dimethoxymorphinan-6-one|(-)-N-(Cycloproylmethyl)-4,14-dimethoxymorphinan-6-one(Cyprodime)|(4bR,8aR,9R)-11-(cyclopropylmethyl)-4,8a-dimethoxy-8,8a,9,10-tetrahydro-5H-9,4b-(epiminoethano)phenanthren-6(7H)-one hydrochloride|17-cyclopropylmethyl-10-hydroxy-4,14-dimethoxy-(1S,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-6-one(cyprodime)|17-cyclopropylmethyl-3,10-dimethoxy-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Storage
Room temperature
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Menge
1mg
C668951-1mg
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496,26€

744,43€
Speichern 248,17 € (33.34%)
5mg
C668951-5mg
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Spezifikationen

Synonyme
Cyprodime | (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one | Morphinan-6-one, 17-(cyclopropylmethyl)-4,14-dimethoxy- | N-(Cyclopropylmethyl)-4,14-dimethoxymorphinan-6-one | 17-(Cyclopropylmethyl)-4,14-dimethoxymorphinan-6-one | (-)-N-(Cycloproylmethyl)-4,14-dimethoxymorp Show more
Storage
Room temperature
Aktionsart
ANTAGONIST
Produkteigenschaften
ALogP
2.5
Namen und Kennungen
Kanonisches Lächeln
COC1=CC=CC2=C1C34CCN(C(C2)C3(CCC(=O)C4)OC)CC5CC5
IUPAC Name
(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
InChIKey
INUCRGMCKDQKNA-CEMLEFRQSA-N
INCHI
1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
Isomere SMILES
COC1=CC=CC2=C1[C@]34CCN([C@H](C2)[C@@]3(CCC(=O)C4)OC)CC5CC5
PubChem CID
5748293
Molekulargewicht
355.5

Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
KlassePhenanthrenes and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenanthrenes and derivatives
Alternative Parents Benzazocines  Isoquinolones and derivatives  Tetralins  Anisoles  Aralkylamines  Alkyl aryl ethers  Piperidines  Trialkylamines  Cyclic ketones  Dialkyl ethers  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenanthrene - Benzazocine - Isoquinolone - Tetralin - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Piperidine - Tertiary aliphatic amine - Cyclic ketone - Tertiary amine - Ketone - Organoheterocyclic compound - Dialkyl ether - Ether - Azacycle - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
OPRD1 Tclin Delta-type opioid receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRM1 Tclin Mu-type opioid receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Opioid receptors; mu & delta (1530 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Opioid receptors; mu & kappa (822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oprd1 Opioid receptor (994 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht355.500 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass355.215 Da
Monoisotopic Mass355.215 Da
Topological Polar Surface Area38.800 Ų
Heavy Atom Count26
Formal Charge0
Complexity576.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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