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Home Other Building Blocks Mebhydrolin napadisylate

Mebhydrolin napadisylate

CAS No.:
6153-33-9
Catalog Number:
AG019FX3
Molecular Formula:
C48H48N4O6S2
Molecular Weight:
841.0479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$42
- +
5g
98%
In Stock USA
United States
$91
- +
25g
98%
In Stock USA
United States
$308
- +
Product Description
Catalog Number:
AG019FX3
Chemical Name:
Mebhydrolin napadisylate
CAS Number:
6153-33-9
Molecular Formula:
C48H48N4O6S2
Molecular Weight:
841.0479
MDL Number:
MFCD00083420
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)
InChI Key:
CJUOSBUQOWKEKJ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O.CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1.CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
EC Number:
228-170-3
UNII:
O5G04RB25M
Properties
Complexity:
799  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
840.302g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
841.054g/mol
Monoisotopic Mass:
840.302g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Why are most phospholipidosis inducers also hERG blockers? Archives of toxicology 20171201
Effect of ovarian stimulation and oocyte retrieval on reproductive outcome in oocyte donors. Fertility and sterility 20120601
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Metabolic factors and risk of hepatocellular carcinoma by chronic hepatitis B/C infection: a follow-up study in Taiwan. Gastroenterology 20080701
Properties