chempirical

Carbenoxolone sodium

C34H48Na2O7CAS 7421-40-1614.73 g/mol

Open in Covalent MOL file
OOO−OOO−ONa+Na+
AlkeneCarboxylic acidEsterKetone

Properties

Molecular formula
C34H48Na2O7
Molar mass
614.73 g/mol
Exact mass
614.3195 Da
logP
6.07Crippen estimate
Polar surface area
118.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5
Stereocentres
S, S, R, R, R, R, S, S, Sin SMILES atom order

Identifiers

CAS number
7421-40-1
SMILES
CC1(C)[C@@H](OC(=O)CCC([O-])=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C([O-])=O)CC[C@]3(C)CC[C@@]12C.[Na+].[Na+]
InChIKey
OUNBBVKBERWKFE-SBBGFIFASA-N
InChI
InChI=1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/t21-,23-,24-,27+,30+,31-,32-,33+,34+;;/m0../s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, sodium salt (1:2), (3β,20β)-
  • Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-, hydrogen succinate, disodium salt
  • Olean-12-en-29-oic acid, 3-(3-carboxy-1-oxopropoxy)-11-oxo-, disodium salt, (3β,20β)-
  • Sodium carbenoxolone
  • Glycyrrhetinic acid hydrogen succinate disodium salt
  • Carbenoxolone sodium salt
  • Glycyrrhetinic acid succinate disodium salt
  • Carbenoxolone disodium
  • Glycyrrhetic acid hydrosuccinate disodium salt
  • Disodium glycyrrhetic acid hemisuccinate
  • Disodium glycyrrhetinyl succinate
  • Carbenoxolone disodium salt
  • 3-(Succinyloxy)glycyrrhetic acid disodium salt
  • Carbenoxalone disodium salt
  • Ulcus-tablinen
  • Neogel
  • Pyrogastrone
  • Duogastrone
  • Sanodin
  • Carbenoxalone sodium
  • Bioral

Work with Carbenoxolone sodium

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

Carbenoxolone5697-56-369 % similar 18α-Glycyrrhetinic acid1449-05-455 % similar Glycyrrhetinic acid471-53-455 % similar Disodium glycyrrhizinate71277-79-754 % similar Sodium glycyrrhizinate56649-78-654 % similar Glycyrrhizic acid1405-86-351 % similar Stearyl glycyrrhetinate13832-70-750 % similar Dipotassium glycyrrhizinate68797-35-350 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook