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Butanedioic acid;[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol;[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol

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Catalog Number
ACM86160829
Product Name
Butanedioic acid;[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol;[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol
CAS
86160-82-9
Category
Heterocyclic Organic Compound
Synonyms
Lavoltidine succinate (USAN); 1H-1,2,4-Triazole-3-methanol,1-methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-,butanedioate (2:1) (salt); UNII-YSJ55YKG2J;
IUPAC Name
butanedioic acid; [1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol
Molecular Weight
837.02 g/mol
Molecular Formula
C42H64N10O8
Canonical SMILES
CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3.CN1C(=NC(=N1)CO)NCCCOC2=CC=CC(=C2)CN3CCCCC3.C(CC(=O)O)C(=O)O
InChI Key
IRLVOMNMSKSKMH-UHFFFAOYSA-N
Boiling Point
566.9ºC at 760 mmHg
Flash Point
296.6ºC
Exact Mass
836.49100
H-Bond Acceptor
16
H-Bond Donor
6
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