Basic information
- CAS
4884-68-8- Standard SMILES
CN1CCc2cc3c(cc2C1O)OCO3.Cl- InChIKey
DLNQCQJCIITVHC-UHFFFAOYSA-N- Molecular formula
- C11H13NO3.ClH
- Average molar mass
- 243.68 g/mol
- Monoisotopic mass
- 243.066221
Names & identifiers
- Preferred name
- Hydrastinine Hydrochloride
- IUPAC
- 6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol;hydrochloride
- English name
- HYDRASTININE HCL(RG)
- Molecular formula
- C11H13NO3.ClH
- Molecular weight
- 243.689
Names & synonyms
Hydrastinine Hydrochloride4884-68-8HYDRASTININE HCLHydrastininum muriaticumDTXSID0047878NSC-93766S8253P6A1GDTXCID0027854NSC937661,3-DIOXOLO(4,5-G)ISOQUINOLIN-5-OL, 5,6,7,8-TETRAHYDRO-6-METHYL-, HYDROCHLORIDE (1:1)RefChem:146990225-497-3
Show more names
Hydrastinine (hydrochloride)HYDRASTININE HCL(RG)6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol;hydrochloridePrestwick_920UNII-S8253P6A1GSR-05000001543Hydrastinine hydrochloride [NF]EINECS 225-497-3
Database identifiers
- CAS
4884-68-8- PubChem CID
- 71833
- DTXSID
DTXSID0047878- ChEMBL
CHEMBL1517651- UNII
- S8253P6A1G
- EC Number
- 225-497-3
Properties
Computed structural properties
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Experimental & physicochemical properties
Collision Cross Section134.9 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- storage temp.
- -20 °C · -20°C
- form
- Solid
- color
- White to off-white
- FDA UNII
- 8253 P6A1G · S8253P6A1G
- RIDADR
- 1544 · 1544
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
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-, hydrochloride
Safety data
- ridadr
- 1544
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
Usescardiotonic, uterine hemostatic
UsesHydrastinine Hydrochloride possesses antitussive activity but less effective orally than narcotine.
Suppliers13 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
Musechem+1-800-259-7612 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海同田生物技术有限公司021-51320588 · [email protected]
奥默生物技术（上海）有限公司19821158099 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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