 Home > Encyclopedia > benzyl-hexadecyl-dimethylazanium;(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

benzyl-hexadecyl-dimethylazanium;(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

benzyl-hexadecyl-dimethylazanium;(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate structure

CAS No:
88428-97-1
Formula:
C49H85NO5
Chemical Name:
benzyl-hexadecyl-dimethylazanium;(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Synonyms:
benzyldimethylhexadecylammonium cholate;BMA cholate;88428-97-1;Bma cholate;Benzyldimethylhexadecylammonium cholate;SCHEMBL1653633;DTXSID401008146;N-Benzyl-N,N-dimethylhexadecan-1-aminium 3,7,12-trihydroxycholan-24-oate;Cholan-24-oic acid, 3,7,12-trihydroxy-, ion(1-), (3alpha,5beta,7alpha,12alpha)-, N-hexadecyl-N,N-dimethylbenzenemethanaminium

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benzyl-hexadecyl-dimethylazanium;(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Basic Attributes

Molecular Weight：

768.2 g/mol

Exact Mass：

767.64277481 g/mol

Characteristics

PSA：

101 Å²

Drug Information

MeSH Entry Terms：

benzyldimethylhexadecylammonium cholate

Computed Properties

Molecular Weight:768.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:20
Exact Mass:767.64277481
Monoisotopic Mass:767.64277481
Topological Polar Surface Area:101
Heavy Atom Count:55
Complexity:922
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Hot Searches: 2 2 3-dimethylpentane; stranguria; trestolone acetate; guanylate disodium; ethylene glycol molar mass; fluoroethylene carbonate

Guide of benzyl-hexadecyl-dimethylazanium;(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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