Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)- structure

Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-

(9R,10S,13S,14R,16S,18R)-15-(3-butoxy-2-hydroxypropyl)-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

Also Known As: (17R,21-alpha)-4-(3-Butoxy-2-hydroxypropyl)-17,21-dihydroxyajmalanium|Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-

CAS: 58892-92-5
Molecular Formula C27H41N2O4+
Molecular Weight 457.30664 g/mol
LogP 2.2469
Topological Polar Surface Area 73.16 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 8
Exact Mass 457.30664
Monoisotopic Mass 457.30664
Heavy Atoms 33
Complexity 911.8625

Chemical Identifiers

CAS Number 58892-92-5
SMILES CCCCOCC(C[N+]12[C@H]3CC([C@@H]([C@H]1O)CC)C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)O

Product Overview

Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)- (CAS 58892-92-5), with molecular formula C27H41N2O4+ and molecular weight 457.30664 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-15-(3-butoxy-2-hydroxypropyl)-13-ethyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.

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Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)- is a custom synthesis product. We offer services from milligram to kilogram scale.

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