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128-20-1

128-20-1 structure
128-20-1 structure
  • Name: Pregnanolone
  • Chemical Name: 3α-hydroxy-5β-pregnan-20-one
  • CAS Number: 128-20-1
  • Molecular Formula: C21H34O2
  • Molecular Weight: 318.493
  • Create Date: 2018-07-24 10:08:56
  • Modify Date: 2024-01-08 03:39:52
  • Pregnanolone, also known as 3a5b-Pregnanolone; Kabi-2213, SKF 6455, Eltanolone, is a cell membrane modulator potentially for the treatment of pain. Pregnanolone is an endogenous neurosteroid that is biosynthesized from progesterone. It is a positive allosteric modulator of the GABAA receptor, as well as a negative allosteric modulator of the glycine receptor, and is known to have sedative, anxiolytic, anesthetic, and anticonvulsant effects. It was investigated for clinical use as a general anesthetic, but produced unwanted side effects such as convulsions on occasion, and for that reason was never marketed.

Name 3α-hydroxy-5β-pregnan-20-one
Synonyms MFCD00067137
Pregnanolone II
5-Pregnan-3-ol-20-one
pregnanalone
Pregnan-20-one, 3-hydroxy-, (3α)-
PREGNAN-3A-OL-20-ONE
3alpha-hydroxy-5beta-pregnan-20-one
(3α)-3-Hydroxypregnan-20-one
Pregnan-20-one,3-hydroxy-, (3a,5b)-
Butabindide oxalate
Density 1.1±0.1 g/cm3
Boiling Point 431.2±18.0 °C at 760 mmHg
Melting Point 149ºC
Molecular Formula C21H34O2
Molecular Weight 318.493
Flash Point 183.9±13.8 °C
Exact Mass 318.255890
PSA 37.30000
LogP 4.89
Vapour Pressure 0.0±2.3 mmHg at 25°C
Index of Refraction 1.524

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4384000
CHEMICAL NAME :
5-beta-Pregnan-20-one, 3-alpha-hydroxy-
CAS REGISTRY NUMBER :
128-20-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C21-H34-O2
MOLECULAR WEIGHT :
318.55
WISWESSER LINE NOTATION :
L E5 B666TJ A1 E1 FV1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
27500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
66 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,117,1968
Symbol GHS08
GHS08
Signal Word Warning
Hazard Statements H351
Precautionary Statements P281
Personal Protective Equipment Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes Xn: Harmful;
Risk Phrases R40
Safety Phrases 22-36
RIDADR NONH for all modes of transport
RTECS TU4384000