chempirical

Diazoline

C29H28N2O6S2CAS 6153-33-9564.67 g/mol

Open in Covalent MOL file
NNOSOOHSOOOH
Sulfonic acidTertiary amine

Properties

Molecular formula
C29H28N2O6S2
Molar mass
564.67 g/mol
Exact mass
564.1389 Da
Melting point
280 °C (decomposes)
logP
5.01Crippen estimate
Polar surface area
116.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Identifiers

CAS number
6153-33-9
SMILES
CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12
InChIKey
UBHSARJULCDNFC-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 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)
  • 2H-Pyrido[4,3-b]indole, 5-benzyl-1,3,4,5-tetrahydro-2-methyl-, 1,5-naphthalenedisulfonate (2:1)
  • 1H-Pyrido[4,3-b]indole, 5-benzyl-2,3,4,5-tetrahydro-2-methyl-, 1,5-naphthalenedisulfonate (2:1)
  • 1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-, 1,5-naphthalenedisulfonate (2:1)
  • Incidal
  • Omeril
  • Diazolin
  • Mebhydrolin napadisylate
  • Fabahistin

Work with Diazoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tubastatin A hydrochloride1310693-92-554 % similar Dansyl acid4272-77-940 % similar Armstrong'S acid81-04-939 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-237 % similar Naphthalene-1-sulfonic acid85-47-236 % similar Laurent acid84-89-934 % similar 1,3,5-Naphthalenetrisulfonic acid6654-64-434 % similar Edans50402-56-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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