Basic information
- CAS
86160-82-9- Standard SMILES
Cn1nc(CO)nc1NCCCOc1cccc(CN2CCCCC2)c1.Cn1nc(CO)nc1NCCCOc1cccc(CN2CCCCC2)c1.O=C(O)CCC(=O)O- InChIKey
IRLVOMNMSKSKMH-UHFFFAOYSA-N- Molecular formula
- C42H64N10O8
- Average molar mass
- 837 g/mol
- Monoisotopic mass
- 836.49085904
Names & identifiers
- Preferred name
- Lavoltidine Succinate
- IUPAC
- butanedioic acid;bis([1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol)
Names & synonyms
LAVOLTIDINE SUCCINATE86160-82-9Loxotidine succinateLavoltidine succinate [USAN]AH 23844AUNII-YSJ55YKG2JYSJ55YKG2JAH 23844 HEMISUCCINATEAH-23844 HEMISUCCINATEAH 23844 [LAVOLTIDINE]AH-23844ALavoltidine succinate (USAN)
Show more names
1H-1,2,4-Triazole-3-methanol, 1-methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-, butanedioate (2:1) (salt)DTXSID502354261-Methyl-5-((3-((alpha-piperidino-m-tolyl)oxy)propyl)amino)-1H-1,2,4-triazole-3-methanol succinate (2:1) (salt)AH 23844 (LAVOLTIDINE)1-METHYL-5-((3-((.ALPHA.-PIPERIDINO-M-TOLYL)OXY)PROPYL)AMINO)-1H-1,2,4-TRIAZOLE-3-METHANOL SUCCINATE (2:1) (SALT)1-METHYL-5-((3-(3-(1-PIPERIDINYLMETHYL)PHENOXY)PROPYL)AMINO)-1H-1,2,4-TRIAZOLE-3-METHANOLRefChem:152557DTXCID50157917
Database identifiers
- CAS
86160-82-9- PubChem CID
- 55472
- DTXSID
DTXSID50235426- ChEMBL
CHEMBL3989590- UNII
- YSJ55YKG2J
Properties
Computed structural properties
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 21
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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