Compound Summary
Compound Information
A 77636 hydrochloride
Compound Name: | A 77636 hydrochloride |
Compound CID: | 9951033 |
Synonyms: | A 77636 hydrochloride A-77636 hydrochloride 145307-34-2 CHEBI:64078 A77636 More... |
Iupac Name: | (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol;hydrochloride |
InChI: | InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20?;/m0./s1 |
InChIKey: | BWHPNJVKFAPVOG-QYFJGNGUSA-N |
Canonical Smiles: | C1C2CC3CC1CC(C2)(C3)C4CC5=C(C=CC(=C5O)O)C(O4)CN.Cl |
Isomeric Smiles: | C1[C@H](O[C@H](C2=C1C(=C(C=C2)O)O)CN)C34CC5CC(C3)CC(C5)C4.Cl |
Molecular Weight: | 365.9 |
Molecular Formula: | C20H28ClNO3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
A 77636 hydrochloride
Molecular Weight: | 365.9 |
Molecular Formula: | C20H28ClNO3 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 25 |
Complexity: | 454 |
Synonyms
A 77636 hydrochloride
| A 77636 hydrochloride | A 77636 hydrochloride |
|---|---|
A 77636 hydrochloride |
A-77636 hydrochloride |
145307-34-2 |
CHEBI:64078 |
A77636 |
A77636 hydrochloride |
MLS001056780 |
(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride |
(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride |
(1R,3S)-3-(adamantan-1-yl)-5,6-dihydroxy-3,4-dihydro-1H-isochromen-1-ylmethanaminium chloride |
1H-2-Benzopyran-5,6-diol, 1-(aminomethyl)-3,4-dihydro-3-tricyclo3.3.1.13,7dec-1-yl-, hydrochloride (1:1), (1R,3S)- |
UNII-WA6RGP1J4W |
WA6RGP1J4W |
SR-01000075355 |
SMR000326988 |
A-77636 (hydrochloride) |
SCHEMBL1878106 |
A-77636 hydrochloride hydrate |
CHEMBL1256876 |
DTXSID1042576 |
A-77636 HCl |
VFA30734 |
Tox21_500129 |
AKOS024456753 |
AKOS025147304 |
CCG-221433 |
LP00129 |
NCGC00093620-01 |
NCGC00260814-01 |
A-255 |
B6837 |
EU-0100129 |
SR-01000075355-1 |
SR-01000075355-3 |
Q27133013 |
(1R,3S)-1-(aminomethyl)-3-(tricyclo3.3.1.13,7dec-1-yl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride |
(1r-cis)-1-(aminomethyl)-3,4-dihydro-3-tricyclo3.3.1.13,7dec-1-yl-1h-2-benzopyran-5,6-diol hydrochloride |
Experimental Data
A 77636 hydrochloride
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 1 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
A 77636 hydrochloride
Statistics Data
A 77636 hydrochloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 1 | 1 | 1 |
Statistics Data Visualization
A 77636 hydrochloride
