Manzamine a

CAS	104196-68-1
Structure
Description	Manzamine A is an orally active beta-carboline alkaloid.
Synonyms	Keramamine A
IUPAC Name	(1R,2R,4R,5Z,12R,13S,16Z)-25-(9H-Pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
Molecular Weight	548.8
Molecular Formula	C36H44N4O
Canonical SMILES	C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78
InChI	InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1
InChI Key	FUCSLKWLLSEMDQ-MKYGIPPKSA-N
Boiling Point	756.6±60.0 °C
Purity	95%+
Density	1.26±0.1 g/cm³
Solubility	Soluble in DMSO
Appearance	Yellow oil
Complexity	1050
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	548.35151204
Heavy Atom Count	41
Isomeric SMILES	C1CCN2CC[C@H]3C(=C[C@@](CC/C=C\C1)([C@H]4[C@]3(C2)C[C@H]/5N4CCCC/C=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78
Monoisotopic Mass	548.35151204
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	55.4 Ų