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| CAS No.: | 581-88-4 |
|---|---|
| Name: | DEBRISOQUIN SULFATE |
| Molecular Structure: | |
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|
|
| Formula: | C10H13N3•1/2H2O4S |
| Molecular Weight: | 224.30 |
| Synonyms: | 3,4-dihydro-2(1h)-isoquinolinecarboxamidinesulfate;3,4-dihydro-2(1h)-isoquinolinecarboxamidinsulfate(2:1);3,4-dihydro-2(1h)-isoquinolinecarboximidamidsulfate(2:1);declinax;isocaramidinesulfate;RO 5-3307;RO 5-33071;3,4-DIHYDRO-2(1H)-ISOQUINOLINECARBOXAMIDINE 0.5 H2SO4 |
| Melting Point: | 278-280°, 284-285° or 266-268° (H2O) |
| Boiling Point: | 309.8°C at 760 mmHg |
| Flash Point: | 141.1°C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R22 |
| Safety: | Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An antihypertensive agent. When heated to decomposition it emits toxic fumes of NOx and SOx. |
| PSA: | 189.20000 |
| LogP: | 3.78020 |
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Chemistry
Molecule structure of Isocaramidine sulfate (CAS NO.581-88-4) :
IUPAC Name: 3,4-dihydro-1H-isoquinoline-2-carboximidamide; sulfuric acid
Molecular Weight: 448.53912 g/mol
Molecular Formula: C20H28N6O4S
Boiling Point: 309.8 °C at 760 mmHg
Flash Point: 141.1 °C
Appreance: crystalline solid
Enthalpy of Vaporization: 55.05 kJ/mol
Vapour Pressure: 0.000626 mmHg at 25 °C
H-Bond Donor: 6
H-Bond Acceptor: 10
Rotatable Bond Count: 2
Exact Mass: 448.189274
MonoIsotopic Mass: 448.189274
Topological Polar Surface Area: 181
Heavy Atom Count: 31
Complexity: 284
Canonical SMILES: C1CN(CC2=CC=CC=C21)C(=N)N.C1CN(CC2=CC=CC=C21)C(=N)N.OS(=O)(=O)O
InChI: InChI=1S/2C10H13N3.H2O4S/c2*11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h2*1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)
InChIKey: CAYGYVYWRIHZCQ-UHFFFAOYSA-N
EINECS: 209-472-4
Product Categories: Nucleotides and Nucleosides; Bases & Related Reagents; Intermediates & Fine Chemicals; Nucleotides; Pharmaceuticals
Uses
Isocaramidine sulfate (CAS NO.581-88-4) is used as antihypertensive.
Toxicity Data With Reference
| 1. | orl-rat LD50:610 mg/kg | OYYAA2 Oyo Yakuri. Pharmacometrics. 17 (1979),129. | ||
| 2. | orl-mus LD50:235 mg/kg | CTCEA9 Current Therapeutic Research, Clinical and Experimental. 6 (1964),299. | ||
| 3. | ipr-mus LD50:132 mg/kg | CTCEA9 Current Therapeutic Research, Clinical and Experimental. 6 (1964),299. | ||
| 4. | scu-mus LD50:136 mg/kg | CTCEA9 Current Therapeutic Research, Clinical and Experimental. 6 (1964),299. | ||
| 5. | ivn-mus LD50:31,700 µg/kg | CTCEA9 Current Therapeutic Research, Clinical and Experimental. 6 (1964),299. |
Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An antihypertensive agent. When heated to decomposition it emits toxic fumes of NOx and SOx.
Hazard Codes: 
Xn
Risk Statements: 22
R22: Harmful if swallowed
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
RTECS: NW7010000
Specification
Isocaramidine sulfate (CAS NO.581-88-4) is also called 1,2,3,4-Tetrahydro-isoquinoline-2-carboxamidine sulfate ; 2(1H)-Isoquinolinecarboximidamide, 3,4-dihydro-, sulfate (2:1) ; 3,4-Dihydro-2(1H)-isoquinolinecarboxamidine sulfate (2:1) ; Debrisoquin hemisulfate ; Debrisoquin sulfate ; Declinax ; Equitonil ; Pasiron-T ; Ro 5-3307/1 ; Tendor .