|
|
Substance Name: Brexanolone [USAN]
RN: 516-54-1
UNII: S39XZ5QV8Y
InChIKey: AURFZBICLPNKBZ-SYBPFIFISA-N
Note
- A mixture of allopregnanolone and sulfobutylether-beta-cyclodextrin for treatment of postpartum depression.
Molecular Formula
- C21-H34-O2
Molecular Weight
- 318.4976
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Drug / Therapeutic Agent
- GABA Agents
- GABA Modulators
- Neurosteroids
- Neurotransmitter Agents
- Treatment of Refractory Status Epilepticus
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Allopregnan-3alpha-ol-20-one
- Brexanolone [USAN]
Synonyms
- 3-alpha,5-alpha-Pregnanolone
- 3-alpha,5-alpha-Tetrahydroprogesterone
- 3-alpha-Hydroxy-5-alpha-pregnan-20-one
- 3alpha,5alpha-THP
- 3alpha-Hydroxy-5alpha-dihydroprogesterone
- 4-08-00-00664 (Beilstein Handbook Reference)
- 5alpha-Pregnan-3alpha-ol-20-one
- Allopregnanolone
- Allotetrahydroprogesterone
- Brexanolone
- BRN 3211363
- SAGE-547
- SGE-102
- UNII-S39XZ5QV8Y
Systematic Names
- 5-alpha-Pregnan-20-one, 3-alpha-hydroxy-
- Pregnan-20-one, 3-hydroxy-, (3-alpha,5-alpha)-
Registry Numbers
CAS Registry Number
- 516-54-1
FDA UNII
- S39XZ5QV8Y
System Generated Number
- 0000516541
Structure Descriptors
InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1InChIKey
AURFZBICLPNKBZ-SYBPFIFISA-NSmiles
CC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intravenous | 20mg/kg (20mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968. | |
rabbit | LDLo | unreported | 7mg/kg (7mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968. | |
rat | LDLo | intravenous | 15mg/kg (15mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 117, 1968. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 177 | deg C | EXP | |
log P (octanol-water) | 3.970 | (none) | EST | |
Atmospheric OH Rate Constant | 3.91E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.