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| CAS No.: | 6903-79-3 |
|---|---|
| Name: | 1-(2-Hydroxyethyl)-1-methylguanidine dihydrogen phosphate |
| Molecular Structure: | |
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| Formula: | C4H12N3O4P |
| Molecular Weight: | 197.131 |
| Synonyms: | Guanidine,1-(2-hydroxyethyl)-1-methyl-, dihydrogen phosphate (7CI);Guanidine,1-(2-hydroxyethyl)-1-methyl-, dihydrogen phosphate (ester) (8CI);2-(1-Methylguanidino)ethyl phosphate;Aplodan;Creatinol O-phosphate;Creatinolphosphate;Creatinolfosfate;N-Methyl-N-(b-hydroxyethyl)guanidine O-phosphate;O-Phosphate ofN-methyl-N-(b-hydroxyethyl)guanidine; |
| EINECS: | 230-011-8 |
| Density: | 1.65 g/cm3 |
| Melting Point: | 244 °C(dec.) |
| Boiling Point: | 384.1 °C at 760 mmHg |
| Flash Point: | 186.1 °C |
| PSA: | 129.68000 |
| LogP: | -0.27900 |
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Aplodan
| Conditions | Yield |
|---|---|
| With water at 90℃; for 5h; |
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Chemistry
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IUPAC Name: 2-[Carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate
Molecular Weight: 197.129541 [g/mol]
Molecular Formula: C4H12N3O4P
XLogP3-AA: -2.5
H-Bond Donor: 4
H-Bond Acceptor: 7
EINECS: 230-011-8
Index of Refraction: 1.574
Molar Refractivity: 39.37 cm3
Molar Volume: 119.1 cm3
Surface Tension: 81.5 dyne/cm
Density: 1.65 g/cm3
Flash Point: 186.1 °C
Enthalpy of Vaporization: 69.46 kJ/mol
Boiling Point: 384.1 °C at 760 mmHg
Vapour Pressure: 5.78E-07 mmHg at 25 °C
Classification Code of Guanidine,N-methyl-N-[2-(phosphonooxy)ethyl]- (CAS NO.6903-79-3): Drug / Therapeutic Agent
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | intraperitoneal | 3200mg/kg (3200mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1449, 1979. |
| guinea pig | LD50 | intravenous | 1500mg/kg (1500mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1449, 1979. |
| guinea pig | LD50 | oral | > 5gm/kg (5000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1449, 1979. | |
| mouse | LD50 | intraperitoneal | 3gm/kg (3000mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1449, 1979. |
| mouse | LD50 | intravenous | 1200mg/kg (1200mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1449, 1979. |
| mouse | LD50 | oral | > 5gm/kg (5000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1449, 1979. | |
| rat | LD50 | intraperitoneal | 4800mg/kg (4800mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1449, 1979. |
| rat | LD50 | intravenous | 1300mg/kg (1300mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: ATAXIA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1449, 1979. |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 29, Pg. 1449, 1979. |
Specification
Guanidine,N-methyl-N-[2-(phosphonooxy)ethyl]- (CAS NO.6903-79-3), its Synonyms are Creatinol phosphate ; Creatinolfosfate ; 1-(2-Hydroxyethyl)-1-methylguanidine dihydrogen phosphate (ester) ; 2-(1-Methylguanidino)ethyl dihydrogenphosphat ; Aplodan ; Creatinol O-phosphate ; Creatinolfosfatum ; Gipron ; N-Methyl-N-(2-(phosphonooxy)ethyl)guanidine ; N-Methyl-N-(beta-hydroxyaethyl)guanidine-O-phosphat ; N-Methyl-N-(beta-hydroxyethyl)guanidine O-phosphate ; Nergize .