Compound Summary
6153-33-9
Compound Information
6153-33-9
Compound Name: | 6153-33-9 |
Compound CID: | 22529 |
Synonyms: | 6153-33-9 Mebhydrolin napadisylate Diazoline Mebhydrolin napadisilate Diazolin More... |
Iupac Name: | 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;naphthalene-1,5-disulfonic acid |
InChI: | InChI=1S/2C19H20N2.C10H8O6S2/c2*1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2*2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16) |
InChIKey: | CJUOSBUQOWKEKJ-UHFFFAOYSA-N |
Canonical Smiles: | CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O |
Isomeric Smiles: | CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O |
Molecular Weight: | 841.1 |
Molecular Formula: | C48H48N4O6S2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
6153-33-9
Molecular Weight: | 841.1 |
Molecular Formula: | C48H48N4O6S2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 8 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 60 |
Complexity: | 799 |
Synonyms
6153-33-9
| 6153-33-9 | 6153-33-9 |
|---|---|
6153-33-9 |
Mebhydrolin napadisylate |
Diazoline |
Mebhydrolin napadisilate |
Diazolin |
Incidal |
Omeril |
Mebhydroline Napadisylate |
Mebhydroline 1,5-naphthalenedisulfonate salt |
Mebhydrolin (napadisylate) |
UNII-O5G04RB25M |
mebhydroline 1,5-naphthalenedisulfonate |
5-benzyl-2-methyl-3,4-dihydro-1H-pyrido4,3-bindole;naphthalene-1,5-disulfonic acid |
O5G04RB25M |
Mebhydrolin 1,5-naphtalenedisulfonate |
Mebhydroline 1,5-naphtalenedisulfonate |
NCGC00017059-01 |
Diazolinum |
CAS-6153-33-9 |
EINECS 228-170-3 |
diazo-line |
Mebhydrolin napadisylate JAN |
Prestwick_605 |
Mebhydrolinenapadisylate |
DSSTox_CID_25566 |
DSSTox_RID_80963 |
DSSTox_GSID_45566 |
1,5-Naphthalenedisulfonic acid, compd. with 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-1H-pyrido(4,3-b)indole (1:2) |
SCHEMBL541584 |
Mebhydrolin napadisilate (JAN) |
CHEMBL1324326 |
DTXSID3045566 |
CHEBI:31803 |
C48H48N4O6S2 |
HMS1569K12 |
HMS2096K12 |
HMS3713K12 |
HMS3887G19 |
HY-B1303 |
Tox21_110763 |
MFCD00083420 |
s5018 |
AKOS015896405 |
CCG-220455 |
CS-4851 |
MCULE-1153020693 |
1,5-Naphthalenedisulfonic acid, compd. with 2,3,4,5-tetrahydro-5-benzyl-2-methyl-1H-pyrido(4,3-b)indol (1:2) |
AC-22580 |
AS-13277 |
H782 |
DB-049899 |
FT-0650724 |
C75885 |
D01786 |
153M339 |
A833282 |
Q27285367 |
Mebhydroline 1,5-naphthalenedisulfonate salt, analytical standard |
2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido4,3-bindole; naphthalene-1,5-disulfonic acid |
5-benzyl-2-methyl-2,3,4,5-tetrahydro-1H-pyrido4,3-bindole heminaphthalene-1,5-disulfonate |
Experimental Data
6153-33-9
| 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 | 100.000000000000000 | umol/L | 17.280000000000000 | 17.560000000000000 | 1.654000000000000 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 16.580000000000000 | 17.080000000000000 | 3.009000000000000 | NS | N2 | 33008901 | Inactive |
Experimental Data Visualization
6153-33-9
Statistics Data
6153-33-9
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 3.009000000000000 | 1 | 2 |
Statistics Data Visualization
6153-33-9
