Compound Summary
Allopregnanolone
Compound Information
Allopregnanolone
Compound Name: | Allopregnanolone |
Compound CID: | 92786 |
Synonyms: | Allopregnanolone 516-54-1 Brexanolone Allopregnan-3alpha-ol-20-one Allotetrahydroprogesterone More... |
Iupac Name: | 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
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/s1 |
InChIKey: | AURFZBICLPNKBZ-SYBPFIFISA-N |
Canonical Smiles: | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
Isomeric Smiles: | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C |
Molecular Weight: | 318.5 |
Molecular Formula: | C21H34O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Allopregnanolone
Molecular Weight: | 318.5 |
Molecular Formula: | C21H34O2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 23 |
Complexity: | 500 |
Synonyms
Allopregnanolone
| Allopregnanolone | Allopregnanolone |
|---|---|
Allopregnanolone |
516-54-1 |
Brexanolone |
Allopregnan-3alpha-ol-20-one |
Allotetrahydroprogesterone |
SAGE-547 |
3alpha-hydroxy-5alpha-pregnan-20-one |
3alpha-OH DHP |
3alpha,5alpha-THP |
5alpha-Pregnan-3alpha-ol-20-one |
Zulresso |
3a,5a-THP |
(3alpha,5alpha)-3-hydroxypregnan-20-one |
UNII-S39XZ5QV8Y |
3alpha-Hydroxy-5alpha-dihydroprogesterone |
3a-Hydroxy-5a-pregnan-20-one |
SGE-102 |
S39XZ5QV8Y |
CHEMBL207538 |
Pregnan-20-one, 3-hydroxy-, (3a,5a)- |
CHEBI:50169 |
3alpha,5alpha-tetrahydroprogesterone |
1-(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentaaphenanthren-17-ylethanone |
1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopentaaphenanthren-17-yl)ethan-1-one |
C21H34O2 |
3alpha-OH-DHP |
3-alpha,5-alpha-Pregnanolone |
SAGE547 |
3-alpha,5-alpha-Tetrahydroprogesterone |
Allopregnan-3a-ol-20-one |
brexanolona |
brexanolonum |
BRN 3211363 |
5|A-Pregnan-3|A-Ol-20-One |
Allopregnalone |
Allopregnan-3.alpha.-ol-20-one |
3-alpha-Hydroxy-5-alpha-pregnan-20-one |
3alpha-hydroxy-5alpha-pregnane-20-one |
(3?,5?)-3-Hydroxy-pregnan-20-one |
NCGC00163287-01 |
Zulresso (TN) |
3a,5a-Pregnanolone |
Brexanolone USAN |
(3a)-Allopregnanolone |
(3|A)-Allopregnanolone |
3a,5a-THPROG |
5-alpha-Pregnan-20-one, 3-alpha-hydroxy- |
(3alpha)-Allopregnanolone |
3-a-tetrahydroprogesterone |
Brexanolone (USAN/INN) |
Biomol-NT_000266 |
DSSTox_CID_26342 |
DSSTox_RID_81546 |
3a,5a-Tetrahydroprogesterone |
BIDD:PXR0069 |
DSSTox_GSID_46342 |
5a-Pregnan-3a-ol-20-one |
3-alpha-tetrahydroprogesterone |
4-08-00-00664 (Beilstein Handbook Reference) |
5a-Pregnane-3a-ol-20-one |
SCHEMBL588060 |
BPBio1_000728 |
GTPL4108 |
3a-Hydroxy-5a-pregnane-20-one |
Allopregnan-3I+/--ol-20-one |
3a-Hydroxy-5a-dihydroprogesterone |
5alpha pregnan 3alpha ol 20 one |
DTXSID901016239 |
HMS3886D05 |
5alpha-pregnane-3alpha-ol-20-one |
AMY16827 |
EX-A1195 |
ZINC4081043 |
Tox21_112042 |
(3a,5a)-3-Hydroxypregnan-20-one |
BDBM50191342 |
LMST02030156 |
MFCD00003677 |
s5805 |
(+)-3a-Hydroxy-5a-pregnan-20-one |
AKOS024285177 |
Pregnane-3alpha-ol-20-one, 5alpha- |
CS-6401 |
DB11859 |
3|A,5|A-THP;SAGE-547;Brexanolone |
NCGC00163287-02 |
5alpha-Pregnan-3alpha-ol-20-one, solid |
AC-30353 |
AS-76408 |
CAS-128-20-1 |
ST082264 |
(3alpha,5alpha)-3-Hydroxy-pregnan-20-one |
HY-101107 |
B7456 |
D11149 |
516A541 |
BRD-K18172896-001-01-7 |
Q28487680 |
8E5D696A-EEBC-495D-A8C9-98FC9A593150 |
Pregnan-20-one, 3-hydroxy-, (3-alpha,5-alpha)- (9CI) |
(1S,2S,7S,11S,14S,15S,5R,10R)-14-acetyl-5-hydroxy-2,15-dimethyltetracyclo8.7. 0.0<2,7>.0<11,15>heptadecane |
Experimental Data
Allopregnanolone
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 20.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Allopregnanolone
Statistics Data
Allopregnanolone
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 20.000000000000000 | 1 | 1 |
Statistics Data Visualization
Allopregnanolone
