Basic information
- Name:
Androstan-3-one,17-(benzoyloxy)-, (5a,17b)-
- Superlist Name:
- Androstanolone 17-benzoate
- CAS No.:
1057-07-4
- Molecular Structure:
- Formula:
- C26H34O3
- Molecular Weight:
- 394.55
- Synonyms:
- 5a-Androstan-3-one, 17b-hydroxy-, benzoate(6CI,7CI,8CI);5a-Dihydrotestosteronebenzoate;Androstanolone benzoate;Dihydrotestosterone benzoate;Ermalone;Hermalone;NSC 69549;Sarcosan;
- EINECS:
- 213-891-8
- Density:
- 1.14 g/cm3
- Boiling Point:
- 505.6 °C at 760 mmHg
- Flash Point:
- 216.7 °C
- Hazard Symbols:
Xn- Risk Codes:
- 63
- Safety Description:
- 36/37 Details
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Specification
The cas register number of Androstanolone 17-benzoate is 1057-07-4. It also can be called as 5a-Androstan-17b-ol-3-one benzoate and the IUPAC Name about this chemical is [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] benzoate. It belongs to the Steroids.
Physical properties about Androstanolone 17-benzoate are: (1)ACD/LogP: 6.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.67; (4)ACD/LogD (pH 7.4): 6.67; (5)ACD/BCF (pH 5.5): 68566.73; (6)ACD/BCF (pH 7.4): 68566.73; (7)ACD/KOC (pH 5.5): 100755.93; (8)ACD/KOC (pH 7.4): 100755.93; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 43.37 Å2; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 113.07 cm3; (14)Molar Volume: 345.1 cm3; (15)Polarizability: 44.82x10-24cm3; (16)Surface Tension: 46.2 dyne/cm; (17)Enthalpy of Vaporization: 77.53 kJ/mol; (18)Vapour Pressure: 2.4E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical has possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C5C[C@@H]4CC[C@@H]3[C@H](CC[C@]2(C)[C@@H](OC(=O)c1ccccc1)CC[C@H]23)[C@@]4(C)CC5
(2)InChI: InChI=1/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
(3)InChIKey: ZGDZDAPCWHIIKB-LVYWIKMTBA
(4)Std. InChI: InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
(5)Std. InChIKey: ZGDZDAPCWHIIKB-LVYWIKMTSA-N
