Products for Research Use Only

Homprenorphine

CAT: 0013-GTR19241783-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241783-02Size:100 mg
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Description
Homprenorphine is a small molecule opioid receptor agonist with characteristic analgesic effects. It is utilized in pharmacological research to study opioid receptor function and analgesia mechanisms in both in vitro binding assays and in vivo animal models.
CAS Number
16549-56-7
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C) [C@@]12[C@]3 ([C@]45[C@@] ([C@] (N (CC6CC6) CC4) (CC7=C5C (O3) =C (OC) C=C7) [H]) (C[C@@]1 ([C@] (CC) (C) O) [H]) C=C2) [H]
Molecular Formula
C28H37NO4
Molecular Weight
451.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Homprenorfina
CAS Number16549-56-7
PubChem CID102586328
IUPAC Name2-[(1R,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]butan-2-ol
Molecular FormulaC28H37NO4
Molecular Weight451.6
XLogP3.8
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity859
SMILES
CCC(C)([C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)CC7CC7)OC)O
InChI
InChI=1S/C28H37NO4/c1-5-25(2,30)20-15-26-10-11-28(20,32-4)24-27(26)12-13-29(16-17-6-7-17)21(26)14-18-8-9-19(31-3)23(33-24)22(18)27/h8-11,17,20-21,24,30H,5-7,12-16H2,1-4H3/t20-,21-,24-,25?,26-,27+,28-/m1/s1
InChIKey
QRKTXOUBZSDKCE-PAKXZNTRSA-N
Chemical Structure
2D Structure
2D structure of Homprenorfina
CAS: 16549-56-7
CID: 102586328
Formula: C28H37NO4
MW: 451.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight451.6
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass451.27225866
Monoisotopic Mass451.27225866
Topological Polar Surface Area51.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity859
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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