Compound Summary
Compound Information
59556-17-1
Compound Name: | 59556-17-1 |
Compound CID: | 198382 |
Synonyms: | 59556-17-1 Gabaculine HCl Gabaculine hydrochloride 3-Amino-2,3-dihydrobenzoic acid hydrochloride 5-Aminocyclohexa-1,3-dienecarboxylic acid hydrochloride More... |
Iupac Name: | 5-aminocyclohexa-1,3-diene-1-carboxylic acid;hydrochloride |
InChI: | InChI=1S/C7H9NO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-3,6H,4,8H2,(H,9,10);1H |
InChIKey: | OBZFLUDUSNCZKL-UHFFFAOYSA-N |
Canonical Smiles: | C1C(C=CC=C1C(=O)O)N.Cl |
Isomeric Smiles: | C1C(C=CC=C1C(=O)O)N.Cl |
Molecular Weight: | 175.61 |
Molecular Formula: | C7H10ClNO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
59556-17-1
Molecular Weight: | 175.61 |
Molecular Formula: | C7H10ClNO2 |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 11 |
Complexity: | 206 |
Synonyms
59556-17-1
| 59556-17-1 | 59556-17-1 |
|---|---|
59556-17-1 |
Gabaculine HCl |
Gabaculine hydrochloride |
3-Amino-2,3-dihydrobenzoic acid hydrochloride |
5-Aminocyclohexa-1,3-dienecarboxylic acid hydrochloride |
(+-)-Gabaculine hydrochloride |
59556-17-1 (HCl) |
d,l-Gabaculine hydrochloride |
5-amino-1,3-cyclohexadiene-1-carboxylic acid, monohydrochloride |
EINECS 261-802-6 |
D,L-Gabaculine, Hydrochloride |
Gabaculine hydrochlorlide |
(+-)-5-Amino-1,3-cyclohexadiene-1-carboxylic acid hydrochloride |
1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, hydrochloride, (+-)- |
708-B |
MLS000859989 |
SCHEMBL667842 |
CHEMBL1256019 |
DTXSID10974965 |
(1)-5-Aminocyclohexa-1,3-diene-1-carboxylic acid hydrochloride |
Tox21_500006 |
1,3-Cyclohexadiene-1-carboxylicacid, 5-amino-, hydrochloride (1:1) |
MFCD00036983 |
AKOS027380321 |
CCG-221310 |
LP00006 |
NCGC00093532-01 |
NCGC00260691-01 |
SMR000326848 |
EU-0100006 |
FT-0668919 |
A 3539 |
SR-01000075664 |
SR-01000075664-1 |
3-Amino-2,3-dihydrobenzoic acid hydrochloride, >=98% |
5-Amino-1,3-cyclohexadiene-1-carboxylic acid hydrochloride |
5-aminocyclohexa-1,3-diene-1-carboxylic acid;hydrochloride |
Experimental Data
59556-17-1
| 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 | 5 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
59556-17-1
Statistics Data
59556-17-1
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 5 | 1 | 1 |
Statistics Data Visualization
59556-17-1
