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Mebhydrolin Napadisylate

CAT: 0572-TRC-M201500-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M201500-100GSize:100 g
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CAS Number
6153-33-9
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 5-benzyl-2,3,4,5-tetrahydro-2-methyl-1H-pyrido[4,3-b]indole (1:2) (8CI); 2H-Pyrido[4,3-b]indole, 5-benzyl-1,3,4,5-tetrahydro-2-methyl-, 1,5-naphthalenedisulfonate (2:1) (6CI); 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-, 1,5-naphthalenedisulfonate (2:1) (9CI); 1H-Pyrido[4,3-b]indole, 5-benzyl-2,3,4,5-tetrahydro-2-methyl-, 1,5-naphthalenedisulfonate (2:1) (8CI); Diazolin; Diazoline; Fabahistin; Incidal; Mebhydrolin napadisylate; Omeril
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4.CN5CCc6c(C5)c7ccccc7n6Cc8ccccc8.OS(=O)(=O)c9cccc%10c(cccc9%10)S(=O)(=O)O
Molecular Formula
2 C19 H20 N2 . C10 H8 O6 S2
Molecular Weight
841.05
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)
Additionnal Information
IUPAC name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;naphthalene-1,5-disulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

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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Alternative Products

CatalogName
BUP18866-01Mebhydrolin napadisylate
HY-B1303-01Mebhydrolin (napadisylate)
A17997-50Mebhydrolin napadisylate 50mg
HY-B1303R-01Mebhydrolin (napadisylate) (Standard)
A17997-100Mebhydrolin napadisylate 100mg
A17997-500Mebhydrolin napadisylate 500mg
A17997-10000Mebhydrolin napadisylate 10g
A17997-5000Mebhydrolin napadisylate 5g
A17997-1000Mebhydrolin napadisylate 1g
AAA52481Mebhydrolin

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