20(S)-Hydroxypregn-4-en-3-one

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Names

[ CAS No. ]:
145-14-2

[ Name ]:
20(S)-Hydroxypregn-4-en-3-one

[Synonym ]:
20alpha-Dihydroprogesterone
20.α.-Hydroxydihydroprogesterone
BTX
EINECS 205-649-5
20(S)-Hydroxypregn-4-en-3-one

Chemical & Physical Properties

[ Density]:
1.09g/cm3

[ Boiling Point ]:
451.7ºC at 760mmHg

[ Molecular Formula ]:
C21H32O2

[ Molecular Weight ]:
316.47800

[ Flash Point ]:
192.4ºC

[ Exact Mass ]:
316.24000

[ PSA ]:
37.30000

[ LogP ]:
4.51530

[ Vapour Pressure ]:
4.65E-10mmHg at 25°C

[ Index of Refraction ]:
1.549

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU5559900
CHEMICAL NAME :
Pregn-4-en-3-one, 20-alpha-hydroxy-
CAS REGISTRY NUMBER :
145-14-2
BEILSTEIN REFERENCE NO. :
2220567
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H32-O2
MOLECULAR WEIGHT :
316.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
40 mg/kg
SEX/DURATION :
female 10 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
10 mg/L
REFERENCE :
AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 127,151,1977

Safety Information

[ WGK Germany ]:
3

[ RTECS ]:
TU5559900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • pregn-4-ene-3,20-diol
  • pregnene-(5)-triol-(3β,4β,20ξ)
  • 16-Dehydropregnenolone
  • 5-PREGNEN-3BETA,20BETA-DIOL
  • furosta-5,20(22)-dien-3,26-diyl diacetate
  • 1-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl acetate
  • Progesterone
  • Pregnenolone

DownStream

  • Progesterone
  • Pregn-4-ene-3,20-dione,7-methyl-, (7a)-(9CI)

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-({4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclohexyl}formamido)-3-hydroxy-2-methylpropanoic acid
  • 1-{4-[(1S)-1-aminoethyl]-1H-pyrazol-1-yl}-3-fluoropropan-2-ol
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 4-Methyl-2-(2-methyl-1,3-oxazol-4-yl)pyrimidine-5-carboxylic acid
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde