Norhyoscine
Basic information
- CAS
4684-28-0- Standard SMILES
O=C(OC1C[C@@H]2N[C@H](C1)[C@H]1O[C@H]12)[C@H](CO)c1ccccc1- InChIKey
MOYZEMOPQDTDHA-YQYZCKNZSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.13140809
Overview
Nor Scopolamine has been reported in Cyphanthera odgersii, Cyphanthera tasmanica, and other organisms with data available.
Names & identifiers
- Preferred name
- Norhyoscine
- IUPAC
- [(1R,2R,4S,5S)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
- English name
- [7(S)-(1alpha,.2beta,4beta,5alpha,7beta)]-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate
- Molecular formula
- C16H19NO4
- Molecular weight
- 289.33
Names & synonyms
norscopolamineNor Scopolamine4684-28-0NorhyoscineG880Z17K5SMFCD22666251[7(S)-(1alpha,.2beta,4beta,5alpha,7beta)]-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl (hydroxymethyl)phenylacetate(7(S)-(1alpha,.2beta,4beta,5alpha,7beta))-3-Oxa-9-azatricyclo(3.3.1.02,4)non-7-yl (hydroxymethyl)phenylacetateUNII-G880Z17K5S(S)-norscopolamineBenzeneacetic acid, a-(hydroxymethyl)-, (1a,2ss,4ss,5a,7ss)-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (aS)-; 1aH,5aH-Nortropan-3a-ol, 6ss,7ss-epoxy-, (-)-tropate (ester) (8CI); Benzeneacetic acid, a-(hydroxymethyl)-, 3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, [7(S)-(1a,2ss,4ss,5a,7ss)]-; Norscopolamine (7CI); NorhyoscineEINECS 225-139-6
Show more names
NorscopolaminHyoscine EP Impurity ATiotropium Impurity 15Scopolamine EP Impurity ANorscopolamine (Standard)Norscopolamine (Nor-Hyoscine)Hyoscine hydrobromide EP Impurity BScopolamine EP Impurity A (Norscopolamine
Hyoscine impurity A CRSEC 225-139-6orb1684371orb3140497NORSCOPOLAMINE [USP-RS]SCHEMBL28149977(S)-(1R,2R,4S,5S,7s)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoateHyoscine hydrobromide impurity B CRS
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Melting point
- 111 · 111-112 °C
- Boiling point
- 474.7 · 474.7±45.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 14.11 · 14.11±0.10(Predicted)
- FDA UNII
- 880 Z17K5S · G880Z17K5S
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 261 · P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P311
- RIDADR
- 1544 PSN1 · UN 1544PSN1 6.1 / PGI
- HS Code
- 2933991200 · 2933991200
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- UN 1544PSN1 6.1 / PGI
- hs_code
- 2933991200
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H311+H331
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P311
Chemistry & industry
Applications
UsesScopolamine (S200000) metabolite.
Suppliers
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Related reactions
0 records
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Compound notes
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