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| CAS No.: | 42408-82-2 |
|---|---|
| Name: | BUTORPHANOL |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C21H29NO2 |
| Molecular Weight: | 327.467 |
| Synonyms: | (-)-17-(Cyclobutylmethyl)-3,14b-dihydroxymorphinan;(-)-Butorphanol;BC 2627, (-)-;Butorphanol;Levo-BC 2627;l-3,14-Dihydroxy-N-(cyclobutylmethyl)morphinan;l-BC 2627; |
| EINECS: | 255-808-8 |
| Density: | 1.24 g/cm3 |
| Melting Point: | 215-217° |
| Boiling Point: | 507.3 °C at 760 mmHg |
| Flash Point: | 265.9 °C |
| PSA: | 43.70000 |
| LogP: | 3.30350 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The Morphinan-3,14-diol,17-(cyclobutylmethyl)-, also known as (-)-17-(Cyclobutylmethyl)morphinan-3,14-diol, is an organic compound with the formula C21H29NO2. Its EINECS registry number is 255-808-8. With the CAS registry number 42408-82-2, its systematic name is 17-(cyclobutylmethyl)morphinan-3,14-diol. This chemical's classification codes are Analgesic; Analgesics; Analgesics, Opioid; Antitussive; Antitussive Agents; Central Nervous System Agents; Central Nervous System Depressants; Drug / Therapeutic Agent; Human Data; Narcotic Antagonists; Narcotics; Peripheral Nervous System Agents; Respiratory System Agents; Sensory System Agents.
Physical properties of Morphinan-3,14-diol,17-(cyclobutylmethyl)-: (1)ACD/LogP: 3.77; (2)ACD/LogD (pH 5.5): 1.29; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 1.44; (5)ACD/BCF (pH 7.4): 72.49; (6)ACD/KOC (pH 5.5): 8.91; (7)ACD/KOC (pH 7.4): 449.66; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.642; (12)Molar Refractivity: 94.95 cm3; (13)Molar Volume: 262.7 cm3; (14)Surface Tension: 60.2 dyne/cm; (15)Density: 1.24 g/cm3; (16)Flash Point: 265.9 °C; (17)Enthalpy of Vaporization: 81.85 kJ/mol; (18)Boiling Point: 507.3 °C at 760 mmHg; (19)Vapour Pressure: 4.11E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O
(2)Isomeric SMILES: C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O
(3)InChI: InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
(4)InChIKey: IFKLAQQSCNILHL-QHAWAJNXSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| women | TDLo | intraspinal | 35ug/kg (0.035mg/kg) | PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC BEHAVIORAL: EXCITEMENT CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP | Anesthesia and Analgesia Vol. 64, Pg. 452, 1985. |