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| Name |
Hydrastine hydrochloride |
EINECS | N/A |
| CAS No. | 5936-28-7 | Density | N/A |
| PSA | 66.46000 | LogP | 3.61310 |
| Solubility | N/A | Melting Point |
115°C |
| Formula | C21H21 N O6 . Cl H | Boiling Point | 548.8oC at 760 mmHg |
| Molecular Weight | 419.862 | Flash Point | 285.7oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl. | Risk Codes | R22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-,hydrochloride, [S-(R*,S*)]-; 1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride, (3S)- (9CI); Hydrastine, hydrochloride (8CI);1,3-Dioxolo[4,5-g]isoquinoline, 1(3H)-isobenzofuranone deriv.; (1R,9S)-b-Hydrastine hydrochloride; b-Hydrastine hydrochloride |
Hydrastine hydrochloride Chemical Properties
Product Name: Hydrastine hydrochloride (CAS NO.5936-28-7)
Molecular Formula: C21H22ClNO6
Molecular Weight: 419.86g/mol
Mol File: 5936-28-7.mol
Einecs: 227-692-9
Melting Point: 115°C
Boiling point: 548.8 °C at 760 mmHg
Storage Temperature: -20°C
Flash Point: 285.7 °C
Enthalpy of Vaporization: 82.85 kJ/mol
Vapour Pressure: 4.28E-12 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of Hydrastine hydrochloride (CAS NO.5936-28-7):
IUPAC Name: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one hydrochloride
Canonical SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl
Isomeric SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.Cl
InChI: InChI=1S/C21H21NO6.ClH/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19;/h4-5,8-9,18-19H,6-7,10H2,1-3H3;1H/t18-,19+;/m1./s1
InChIKey: URBFHJWLYXILMP-VOMIJIAVSA-N
Product Categories: Alkaloids
Hydrastine hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 1gm/kg (1000mg/kg) | "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 57, 1969. | |
| rat | LD50 | subcutaneous | 1270mg/kg (1270mg/kg) | "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 57, 1969. |
Hydrastine hydrochloride Safety Profile
Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Safety Information of Hydrastine hydrochloride (CAS NO.5936-28-7):
Hazard Codes: Xn
Risk Statements: 22
22: Harmful if swallowed
Safety Statements: 36
36: Wear suitable protective clothing
RIDADR: 1544
RTECS: MU6125000
HazardClass: 6.1(b)
PackingGroup: III
Hydrastine hydrochloride Specification
Hydrastine hydrochloride , its CAS NO. is 5936-28-7, the synonyms are EINECS 227-692-9 ; Hydrastine HCl ; UNII-562PDC2I9K ; beta-Hydrastine hydrochloride .
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