Calycanthine

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Catalog Number
ACM595051
Product Name
Calycanthine
Structure
Structure
CAS
595-05-1
Category
Heterocyclic Organic Compound
Synonyms
(4bS)-5,6,11,12-Tetrahydro-13,18-dimethyl-5β,10bβ:11β,4bβ-bis(iminoethano)dibenzo[c,h][2,6]naphthyridine
Molecular Weight
346.5
Molecular Formula
C22H26N4
InChI
InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
InChI Key
XSYCDVWYEVUDKQ-GXRSIYKFSA-N
Melting Point
245 °C
Complexity
531
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
4
Exact Mass
346.21574685
Heavy Atom Count
26
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isomeric SMILES
CN1CC[C@@]23[C@@H]4NC5=CC=CC=C5[C@@]2([C@@H]1NC6=CC=CC=C36)CCN4C
Monoisotopic Mass
346.21574685
Physical State
Powder
Rotatable Bond Count
0
Topological Polar Surface Area
30.5 Ų
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