Tetrahydropapaveroline
Basic information
- CAS
4747-99-3- Standard SMILES
Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1O- InChIKey
ABXZOXDTHTTZJW-UHFFFAOYSA-N- Molecular formula
- C16H17NO4
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.11575802
Overview
Norlaudanosoline is a benzylisoquinoline alkaloid, an isoquinolinol and a benzyltetrahydroisoquinoline. It has a role as a human metabolite.
Names & identifiers
- Preferred name
- Tetrahydropapaveroline
- IUPAC
- 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
- English name
- Tetrahydropapaveroline
- Molecular formula
- C16H17NO4
- Molecular weight
- 287.31
Names & synonyms
TetrahydropapaverolineNorlaudanosoline4747-99-3TetrahydroxypapaverolineV1EWJ6B8KYDTXSID709638506,7-Isoquinolinediol, 1-((3,4-dihydroxyphenyl)methyl)-1,2,3,4-tetrahydro-CHEBI:28770RefChem:932811DTXCID801391579(R,S)-Norlaudanosoline1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Show more names
TetrahydroveronalTetrahydroviloline(S)-norlaudanosoline6,7-Isoquinolinediol, 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-
1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol(+/-)-tetrahydropapaverolineCHEMBL190681-[(3,4-Dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-isoquinolinediolUNII-V1EWJ6B8KYNorlaudanosolin(RS)-NORLAUDANOSOLINE(+/-)-NORLAUDANOSOLINE
Database identifiers
- CAS
4747-99-3- PubChem CID
- 18519
- DTXSID
DTXSID70963850
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Boiling point
- 573.2 · 573.2±50.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- pka
- 9.71 · 9.71±0.40(Predicted)
- FDA UNII
- 1 EWJ6B8KY · V1EWJ6B8KY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesNorlaudanosoline is a key intermediate on the biosynthetic pathway to morphinan and benzylisoquinoline alkaloids.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Norlaudanosoline is a benzylisoquinoline alkaloid, a benzyltetrahydroisoquinoline and an isoquinolinol. It has a role as a human metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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