NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2Z)-but-2-enedioic acid; methyl(6-methylhept-5-en-2-yl)amine
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IUPAC Traditional name
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isometheptene; maleic acid
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Synonyms
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N,6-Dimethyl-5-hepten-2-amine (2Z)-2-Butenedioate
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N,6-Dimethyl-5-hepten-2-amine (Z)-2-Butenedioate
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Isometheptene Maleate
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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-0.9186996
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LogD (pH = 7.4)
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-0.63449925
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Log P
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2.3181725
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Molar Refractivity
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47.5864 cm3
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Polarizability
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18.653461 Å3
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Polar Surface Area
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12.03 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
DETAILS
DETAILS
TRC
Toronto Research Chemicals -
I821325
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Isometheptene Maleate belongs to a group of sympathomimetic amine and shows very little antihypertensive activity. Isometheptene Maleate is used as an antispasmodic drug. |
PATENTS
PATENTS
PubChem Patent
Google Patent