 Home > Encyclopedia > N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1)

N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1)

N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1) structure

CAS No:
229005-80-5
Formula:
C33H39N2O2.Cl
Chemical Name:
N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1)
Synonyms:
2H-Pyran-4-aminium,N-[[4-[[[6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-,chloride (1:1);2H-Pyran-4-aminium,N-[[4-[[[6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-,chloride;N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1);TAK 779;TAK 799;Takeda 779

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N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1) Basic Attributes

Molecular Weight：

531.1 g/mol

Exact Mass：

530.2700062 g/mol

UNII：

BQW1Y9KIIP

Characteristics

PSA：

38.3 Å²

Drug Information

MeSH：

Compounds and drugs that inhibit or block the activity of CCR5 RECEPTORS. (See all compounds classified as CCR5 Receptor Antagonists.)

MeSH Entry Terms：

N,N-dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium chloride

Computed Properties

Molecular Weight:531.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:530.2700062
Monoisotopic Mass:530.2700062
Topological Polar Surface Area:38.3
Heavy Atom Count:38
Complexity:769
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of N-[[4-[[[6,7-Dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl]carbonyl]amino]phenyl]methyl]tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride (1:1)

Basic Attributes
Characteristics
Drug Information
Computed Properties
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