1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,9R,10S)-6-chloro-12-methyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one

2.1.2 InChI

InChI=1S/C15H17ClN2O2/c1-18-5-4-15-12(8-18)10(7-14(19)17-15)11-6-9(16)2-3-13(11)20-15/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,17,19)/t10-,12+,15+/m0/s1

2.1.3 InChI Key

MJRPHRMGEKCADU-JVLSTEMRSA-N

2.1.4 Canonical SMILES

CN1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)Cl

2.1.5 Isomeric SMILES

CN1CC[C@@]23[C@H](C1)[C@@H](CC(=O)N2)C4=C(O3)C=CC(=C4)Cl

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 4a-amino-8-chloro-2-methyl-1,2,3,4,4a,10a-hexahydro-10h-benzopyrano(3,2-c)pyridin-10-ylacetic Acid Lactam

2. Lm 1404

3. Lm-1404

4. Lortalamine

5. Lortalamine, (4ar,10r,10ar)-isomer

2.2.2 Depositor-Supplied Synonyms

1. Lortalamine

2. Lm-1404

3. Schembl121639

4. (1r,9r,10s)-6-chloro-12-methyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one

2.3 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₇ClN₂O₂
Molecular Weight	292.76 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	292.0978555 g/mol
Monoisotopic Mass	292.0978555 g/mol
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	432
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Lortalamine