Boro-Scopol
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Molecular Identity
Boro-Scopol
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
PubChem CID: 3000322
Scopolamine is a tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. It has a role as a metabolite, an antidepressant, a muscarinic antagonist, a mydriatic agent, an antiemetic, an antispasmodic drug, an anaesthesia adjuvant and an adjuvant. It is an epoxide, a propanoate ester, a tropane alkaloid and a tertiary amino compound. It is functionally related to a (S)-tropic acid. It is a conjugate base of a scopolamine(1+).
2D Structure
Properties
C17H21NO4
Molecular Formula
303.35
Molecular Weight
g/mol
303.1471
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
62.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
418
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4Isomeric SMILES
SMILES: CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4Synonyms(20)
ScopaceBoro-ScopolRefChem:570028scopolamineHyoscine(-)-Hyoscine51-34-3Scopine tropateTransderm-Scop(-)-ScopolamineScopine (-)-tropateAtrochinAtroquinHyosoll-Scopolamine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Boro-Scopol
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