Basic information
- Name:
Pregna-1,4-diene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-11,21-dihydroxy-, (11b,16a)-
- Superlist Name:
- (R)-Budesonide
- CAS No.:
51372-29-3
- Molecular Structure:
![Molecular Structure of 51372-29-3 (Pregna-1,4-diene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-11,21-dihydroxy-, (11b,16a)-)](http://www.lookchem.com/300w/2010/0621/51372-29-3.jpg)
- Formula:
- C25H34O6
- Molecular Weight:
- 430.53
- Synonyms:
- Pregna-1,4-diene-3,20-dione,16,17-[butylidenebis(oxy)]-11,21-dihydroxy-, [11b,16a(R)]-;(22R)-Budesonide;Dexbudesonide;
- EINECS:
- 257-161-7
- Density:
- 1.27 g/cm3
- Melting Point:
- 194-199 °C
- Boiling Point:
- 599.7 °C at 760 mmHg
- Flash Point:
- 201.8 °C
- Appearance:
- light beige solid
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Chemistry
Molecule structure of Pregna-1,4-diene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-11,21-dihydroxy-, (11b,16a)- (CAS NO.51372-29-3):
Molecular Weight: 430.53386 [g/mol]
Molecular Formula: C25H34O6
Index of Refraction: 1.592
Molar Refractivity: 113.86 cm3
Molar Volume: 336.4 cm3
Surface Tension: 55.2 dyne/cm
Density: 1.27 g/cm3
Flash Point: 201.8 °C
Enthalpy of Vaporization: 102.44 kJ/mol
Boiling Point: 599.7 °C at 760 mmHg
Vapour Pressure: 6.94E-17 mmHg at 25 °C
XLogP3-AA: 2.5
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 4
Tautomer Count: 9
Exact Mass: 430.235539
MonoIsotopic Mass: 430.235539
Topological Polar Surface Area: 93.1
Heavy Atom Count: 31
Canonical SMILES: CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C
Isomeric SMILES: CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)CInChI: InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
InChIKey: VOVIALXJUBGFJZ-VXKMTNQYSA-N
EINECS of Pregna-1,4-diene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-11,21-dihydroxy-, (11b,16a)- (CAS NO.51372-29-3): 257-161-7
Specification
Pregna-1,4-diene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-11,21-dihydroxy-, (11b,16a)- (CAS NO.51372-29-3) is also called (R)-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione 16,17-acetal with butyraldehyde ; Dexbudesonide ; 16alpha(R),17-(Butylidenebis(oxy))-11beta,21-dihydroxypregna-1,4-diene-3,20-dione .