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Mebhydrolin (napadisylate)

CAT: 0804-HY-B1303-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1303-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mebhydrolin napadisylate is a specific histamine H1 receptor antagonist.
CAS Number
6153-33-9
Product Name Alternative
Mebhydroline 1,5-naphthalenedisulfonate salt
UNSPSC
12352005
Hazard Statement
H317, H319
Target
Histamine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Endocrinology
Assay Protocol
https://www.medchemexpress.com/Mebhydrolin-napadisylate.html
Purity
99.93
Solubility
DMSO : 5.56 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=S(C1=C2C=CC=C(S(=O)(O)=O)C2=CC=C1)(O)=O.CN(C3)CCC(N4CC5=CC=CC=C5)=C3C6=C4C=CC=C6.CN(C7)CCC(N8CC9=CC=CC=C9)=C7C%10=C8C=CC=C%10
Molecular Formula
C48H48N4O6S2
Molecular Weight
841.05
Precautions
H317, H319
References & Citations
[1]O'Neill PA, et al. Chlorpromazine-a specific effect on breathlessness? Br J Clin Pharmacol. 1985 Jun;19 (6) :793-7.|[2]Franks HM, et al. Interaction between ethanol and antihistamines: 3. Mebhydrolin. Med J Aust. 1981 Oct 31;2 (9) :477-9.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Diazoline

see also record for mebhydroline, RN: 524-81-2

CAS Number6153-33-9
PubChem CID5702169
IUPAC Name5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;naphthalene-1,5-disulfonic acid
Molecular FormulaC29H28N2O6S2
Molecular Weight564.7
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity799
SMILES
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
InChI
InChI=1S/C19H20N2.C10H8O6S2/c1-20-12-11-19-17(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/h2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)
InChIKey
UBHSARJULCDNFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diazoline
CAS: 6153-33-9
CID: 5702169
Formula: C29H28N2O6S2
MW: 564.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass564.13887896
Monoisotopic Mass564.13887896
Topological Polar Surface Area134 Ų
Heavy Atom Count39
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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