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Home> Encyclopedia > Hot Product Listed M   > Mebhydrolin napadisylate
6153-33-9 structure

Mebhydrolin napadisylate

Iupac Name:5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;
naphthalene-1,5-disulfonic acid
CAS No.:6153-33-9
EINECS(EC#): 228-170-3
Molecular Weight:841.04792
Molecular Formula:C48H48N4O6S2 (isomer)
Names and Identifiers
Synonyms

1,5-Naphthalenedisulfonic acid, compd. with 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-1H-pyrido(4,3-b)indole (1:2) 1,5-Naphthalenedisulfonic acid, compd. with 2,3,4,5-tetrahydro-5-benzyl-2-methyl-1H-pyrido(4,3-b)indol (1:2) 1,5-Naphthalenedisulfonic acid,compd. with 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)- 1H-pyrido[4,3-b]indole (1:2) 153M339 2C19H20N2.C10H8O6S2 2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole 5-benzyl-2-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole heminaphthalene-1,5-disulfonate 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole 6153-33-9 9-Benzyl-N-methyl-1,2,3,4-tetrahydro-|A-carboline A833282 AC1L2KJT AC-22580 AK546804 AKOS015896405 AS-13277 C13254 C48H48N4O6S2 C-55227 CAS-6153-33-9 CCG-220455 CHEBI:31803 CHEMBL1324326 CS-4851 D01786 Diazolin Diazoline diazo-line Diazolinum DSSTox_CID_25566 DSSTox_GSID_45566 DSSTox_RID_80963 DTXSID3045566 EINECS 228-170-3 Fabahistin FT-0650724 H782 HMS1569K12 HMS2096K12 HMS3713K12 HY-B1303 I06-2002 Incidal LS-94672 MCULE-1153020693 Mebhydrolin (napadisylate) Mebhydrolin 1,5-naphtalenedisulfonate Mebhydrolin napadisilate Mebhydrolin napadisilate (JAN) Mebhydrolin napadisylate [JAN] Mebhydroline 1,5-naphtalenedisulfonate Mebhydroline 1,5-naphthalenedisulfonate Mebhydroline 1,5-naphthalenedisulfonate salt Mebhydroline 1,5-naphthalenedisulfonate salt, analytical standard Mebhydroline napadisylate mebhydrolin-napadisylate MFCD00083420 naphthalene-1,5-disulfonic acid NCGC00017059-01 O5G04RB25M Omeril Prestwick_605 SC-77504 SCHEMBL541584 Tox21_110763 UNII-O5G04RB25M

Inchi
InChI=1/2C19H20N2.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)
InChkey
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
Isomers 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
Properties
Appearance
White or almost white crystalline
Boiling Point
457.3°C at 760 mmHg
Flash Point
230.4°C
HS Code
2933990090
Safety and Handling
Safety
Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

No signal word.

Hazard statement(s)

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

NMR Spectrum
Computational chemical data
  • Molecular Weight:841.04792g/mol
  • Molecular Formula:C48H48N4O6S2
  • Exact Mass:840.301527
  • Monoisotopic Mass:840.301527
  • Complexity:799
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:142
  • Heavy Atom Count:60
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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