Salvinorin A Propionate

CAT: 0013-GTR19190229-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19190229-01Size:1 mg

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Description

Salvinorin A propionate is a selective κ-opioid receptor (KOR) partial agonist (Ki = 32.6 nM) that inhibits adenylate cyclase in vitro. It demonstrates selectivity over other opioid and neurotransmitter receptors. In vivo, it produces antinociceptive effects in a mouse tail-flick model, supporting its use in neuropharmacology and pain research.

CAS Number

689295-71-4

Field of Research

Metabolism Research, Neuroscience, Pharmacology & Drug Discovery

Smiles

C[C@@]12[C@@]3 ([C@] (C) ([C@H] (C (OC) =O) C[C@H] (OC (CC) =O) C3=O) CC[C@]1 (C (=O) O[C@@H] (C2) C=4C=COC4) [H]) [H]

Molecular Formula

C24H30O8

Molecular Weight

446.49

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-propanoyloxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate

CAS Number	689295-71-4
PubChem CID	644177
IUPAC Name	methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-propanoyloxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Molecular Formula	C24H30O8
Molecular Weight	446.5
XLogP	3
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	808

SMILES

CCC(=O)O[C@H]1C[C@H]([C@@]2(CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]2C1=O)C)C4=COC=C4)C)C(=O)OC

InChI

InChI=1S/C24H30O8/c1-5-18(25)31-16-10-15(21(27)29-4)23(2)8-6-14-22(28)32-17(13-7-9-30-12-13)11-24(14,3)20(23)19(16)26/h7,9,12,14-17,20H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1

InChIKey

UPFVFWZGNRKYFG-ZWLNRFIDSA-N

Chemical Structure

2D Structure

CAS: 689295-71-4

CID: 644177

Formula: C24H30O8

MW: 446.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	446.5
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	446.19406791
Monoisotopic Mass	446.19406791
Topological Polar Surface Area	109 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	808
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Salvinorin A Propionate

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