Metabolite Succinylmonocholine
- Name
- Succinylmonocholine
- Description
- Not Available
- Structure
Structure for Succinylmonocholine
- Synonyms
- Not Available
- UNII
- FU8UCR633Q
- CAS number
- Not Available
- Weight
- Average: 204.245
Monoisotopic: 204.123034484 - Chemical Formula
- C9H18NO4
- InChI Key
- JQLBLDAELQDYMK-UHFFFAOYSA-O
- InChI
- InChI=1S/C9H17NO4/c1-10(2,3)6-7-14-9(13)5-4-8(11)12/h4-7H2,1-3H3/p+1
- IUPAC Name
- {2-[(3-carboxypropanoyl)oxy]ethyl}trimethylazanium
- SMILES
- C[N+](C)(C)CCOC(=O)CCC(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 151.8252809 predictedDarkChem Lite v0.1.0 [M-H]- 136.54652 predictedDeepCCS 1.0 (2019) [M+H]+ 152.4017809 predictedDarkChem Lite v0.1.0 [M+H]+ 139.32814 predictedDeepCCS 1.0 (2019) [M+Na]+ 151.5765809 predictedDarkChem Lite v0.1.0 [M+Na]+ 148.56723 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 141273
- ZINC
- ZINC000002272642
- Wikipedia
- Succinylmonocholine
- Predicted Properties
Property Value Source Water Solubility 0.288 mg/mL ALOGPS logP -2.6 ALOGPS logP -4.4 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 4.12 Chemaxon pKa (Strongest Basic) -7.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 63.6 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 62.24 m3·mol-1 Chemaxon Polarizability 21.69 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon