Basic information
- CAS
6592-85-4- Standard SMILES
CN1CCc2cc3c(cc2C1O)OCO3- InChIKey
YOJQZPVUNUQTDF-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Overview
Hydrastinine is an organic molecular entity.
Names & identifiers
- Preferred name
- Hydrastinine
- IUPAC
- 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
- English name
- hydrastinine
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
hydrastinine6592-85-46-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-olV1I0L48X6ENSC-755892DTXSID30480731,3-Dioxolo(4,5-g)isoquinolin-5-ol, 5,6,7,8-tetrahyro-6-methyl-6-methyl-7,8-dihydro-5H-(1,3)dioxolo(4,5-g)isoquinolin-5-olRefChem:414949DTXCID4028044229-533-9Hydraztinine
Show more names
5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol1,3-Dioxolo[4,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-6-methyl-1,3-DIOXOLO(4,5-g)ISOQUINOLIN-5-OL, 5,6,7,8-TETRAHYDRO-6-METHYL-EINECS 229-533-9BRN 0014208UNII-V1I0L48X6EHydrastinin
Database identifiers
- CAS
6592-85-4- PubChem CID
- 3638
- DTXSID
DTXSID3048073- ChEMBL
CHEMBL1623232- ChEBI
CHEBI:233287- UNII
- V1I0L48X6E
- EC Number
- 229-533-9
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Experimental & physicochemical properties
Collision Cross Section132.82 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 117 ° · 117°
- Boiling point
- 346.25 °C · 346.25°C (rough estimate)
- Density
- 1.1878 · 1.1878 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Acetontrile (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 11.38 · 11.38(at 25℃)
- color
- Pale Brown to Brown
- Stability
- Hygroscopic
- FDA UNII
- 1 I0L48X6E · V1I0L48X6E
- RIDADR
- 1544 · 1544
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,3-Dioxolo[4,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-6-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- ridadr
- 1544
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesHydrastinine, possesses antitussive activity but less effective orally than narcotine.
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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