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Keramamine A

Keramamine A structure

CAS No:
104196-68-1
Formula:
C36H44N4O
Chemical Name:
Keramamine A
Synonyms:
1,13-Etheno-4,21a-methano-1H-azocino[1′,2′:1,5]pyrrolo[3,2-e]azacyclopentadecin-13(13aH)-ol,2,3,5,6,7,8,11,12,15,16,17,18,20a,21-tetradecahydro-24-(9H-pyrido[3,4-b]indol-1-yl)-,(1R,4S,9Z,13S,13aR,20aR,21aR)-;1,13-Etheno-4,21a-methano-1H-azocino[1′,2′:1,5]pyrrolo[3,2-e]azacyclopentadecin-13(13aH)-ol,2,3,5,6,7,8,11,12,15,16,17,18,20a,21-tetradecahydro-24-(9H-pyrido[3,4-b]indol-1-yl)-,[1R-(1R*,9Z,13S*,13aR*,20aR*,21aR*)]-;9H-Pyrido[3,4-b]indole,1,13-etheno-4,21a-methano-1H-azocino[1′,2′:1,5]pyrrolo[3,2-e]azacyclopentadecin-13(13aH)-ol deriv.;(1R,4S,9Z,13S,13aR,20aR,21aR)-2,3,5,6,7,8,11,12,15,16,17,18,20a,21-Tetradecahydro-24-(9H-pyrido[3,4-b]indol-1-yl)-1,13-etheno-4,21a-methano-1H-azocino[1′,2′:1,5]pyrrolo[3,2-e]azacyclopentadecin-13(13aH)-ol;Manzamine A;Keramamine A;(+)-Manzamine A
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Keramamine A Basic Attributes

Molecular Weight：

548.76100

Exact Mass：

548.76

Characteristics

PSA：

55.39000

XLogP3：

6.73160

Density：

1.26g/cm3

Boiling Point：

756.6ºC

Flash Point：

411.4ºC

Refractive Index：

1.701

Vapor Pressure：

4.65E-24mmHg at 25°C

Drug Information

MeSH Entry Terms：

manzamine A

Computed Properties

Molecular Weight:548.8
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:548.35151204
Monoisotopic Mass:548.35151204
Topological Polar Surface Area:55.4
Heavy Atom Count:41
Complexity:1050
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes