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| CAS No.: | 808-48-0 |
|---|---|
| Name: | Desoxycorticosterone pivalate |
| Molecular Structure: | |
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| Formula: | C26H38O4 |
| Molecular Weight: | 414.585 |
| Synonyms: | 11-Deoxycorticosterone,pivalate (8CI);Corticosterone, deoxy-, pivalate (6CI,7CI);Pivalic acid, esterwith 11-deoxycorticosterone (8CI);21-Hydroxypregn-4-ene-3,20-dione pivalate;Cortexone M;DOCP;DTMA;Deoxycorticosterone pivalate;Deoxycorticosteronetrimethylacetate;Deoxycortone pivalate;Deoxycortone trimethylacetate;Desoxycorticosterone pivalate;Desoxycorticosterone trimethylacetate;Desoxycortisone pivalate;Desoxycortone pivalate;NSC 95278;Neodin-Depositum;Percorten M;Percorten Pivalate; |
| EINECS: | 212-366-0 |
| Density: | 1.111 g/cm3 |
| Melting Point: | 198-204 °C |
| Boiling Point: | 529.012 °C at 760 mmHg |
| Flash Point: | 225.517 °C |
| PSA: | 60.44000 |
| LogP: | 5.29290 |
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Specification
The CAS register number of Desoxycorticosterone pivalate is 808-48-0. It also can be called as 21-Hydroxy-4-pregnene-3,20-dione pivalate and the IUPAC name about this chemical is [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl]2,2-dimethylpropanoate. The molecular formula about this chemical is C26H38O4 and molecular weight is 414.58. Classification code about this chemical are Adrenocortical steroid [salt-regulating] and Drug / Therapeutic Agent.
Physical properties about Desoxycorticosterone pivalate are: (1)ACD/LogP: 4.85; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 60.44Å2; (5)Index of Refraction: 1.534; (6)Molar Refractivity: 115.974 cm3; (7)Molar Volume: 373.091 cm3; (8)Polarizability: 45.976x10-24cm3; (9)Surface Tension: 42.765 dyne/cm; (10)Enthalpy of Vaporization: 80.396 kJ/mol; (11)Boiling Point: 529.012 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=O)[C@H]1CC[C@H]2[C@H]4[C@H](CC[C@]12C)[C@@]3(/C(=C\C(=O)CC3)CC4)C)C(C)(C)C
(2)InChI: InChI=1/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1
(3)InChIKey: VVOIQBFMTVCINR-WWMZEODYBW
(4)Std. InChI: InChI=1S/C26H38O4/c1-24(2,3)23(29)30-15-22(28)21-9-8-19-18-7-6-16-14-17(27)10-12-25(16,4)20(18)11-13-26(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20-,21+,25-,26-/m0/s1
(5)Std. InChIKey: VVOIQBFMTVCINR-WWMZEODYSA-N