Androsterone tosylate

HCID 14056196CAS 10429-07-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C2)cc1
InChIKey
HNTMKSKJRZRWKS-MWLOVLLCSA-N
Molecular formula
C26H36O4S
Average molar mass
444.6 g/mol
Monoisotopic mass
444.2334308

Names & identifiers

Preferred name
Androsterone tosylate
IUPAC
[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
English name
Androstan-17-one,3-[[(4-methylphenyl)sulfonyl]oxy]-,(3,5)-
Molecular formula
C26H36O4S
Molecular weight
444.63

Names & synonyms

androsterone tosylate10429-07-9EC 600-553-3DTXSID601037404RefChem:558052DTXCID501521440600-553-33beta-Tosyloxy-5alpha-androstan-17-oneAndrostan-17-one,3-[[(4-methylphenyl)sulfonyl]oxy]-,(3,5)-[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonateRocuronium Bromide Impurity 32Rocuronium Impurity 15
Show more names
Rocuronium impurity1266(3S,5S,8R,9S,10S,13S,14S)-Rocuronium bromide Impurity 13β-Tosyloxy-5α-androstan-17-one3β-(4-methylphenylsulfonyloxy)-5α-androstan-17-one3β-(4-methylphenylsulfonyloxy)-5α-androstan-17-oneAndrostan-17-one, 3-[[(4-methylphenyl)sulfonyl]oxy]-, (3β,5α)-(5S,10S)-10,13-dimethyl-17-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 4-methylbenzenesulfonate
3beta-(4-methylphenylsulfonyloxy)-5alpha-androstan-17-oneSCHEMBL2435124doi:10.14272/HNTMKSKJRZRWKS-MWLOVLLCSA-N.13.beta.-4(-Methylbenzenesulfonyloxy)-5.alpha.-androstan-17-one(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 4-methylbenzenesulfonate

Database identifiers

CAS
10429-07-9
PubChem CID
14056196
EC Number
600-553-3
Nikkaji
J34.340D

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
68.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
31

Physicochemical properties

Melting point
164 · 164-165 °C(Solv: benzene (71-43-2); cyclohexane (110-82-7))
Boiling point
568.5 · 568.5±50.0 °C(Predicted)
Density
1.18 g/cm3 · 1.18g/cm3 at 25℃
vapor pressure
0 Pa · 0Pa at 25℃
form
Powder
LogP
5.8 at · 5.8 at 35℃ and pH7

Safety & regulation

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 07-03-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7679

Regulatory information

Regulatory InformationStatus: Cease Manufacture Update: 07-03-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/7679

Safety data

REACH Registrations
Inactive

Chemistry & industry

Applications · 1 item

Uses3β-(4-Methylphenylsulfonyloxy)-5α-androstan-17-one is an important reagent in the synthesis of aminosteroids and rocuronium bromide intermediate. Rocuronium bromide is an amino steroid non-depolarizing neuro muscular blocker. Also functions as a reagent in the preparation of androstanes as antiarrhythmics.

Suppliers41 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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