Name: Name:(6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate
Brand: Angene
SKU: AG00I5WW
Rating: 90 (10 reviews)

(6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate

CAS No.:

313369-26-5

Catalog Number:

AG00I5WW

Molecular Formula:

C17H23N3O2

Molecular Weight:

301.3834

Catalog Number:

AG00I5WW

Chemical Name:

(6bR,10aS)-Ethyl 3-methyl-2,3,6b,7,10,10a-hexahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(9H)-carboxylate

CAS Number:

313369-26-5

Molecular Formula:

C17H23N3O2

Molecular Weight:

301.3834

MDL Number:

MFCD30730050

IUPAC Name:

ethyl (10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylate

InChI:

InChI=1S/C17H23N3O2/c1-3-22-17(21)19-8-7-14-13(11-19)12-5-4-6-15-16(12)20(14)10-9-18(15)2/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m0/s1

InChI Key:

WHCUAJCNKSIETM-KBPBESRZSA-N

SMILES:

CCOC(=O)N1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCN3C

Complexity:

444

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

301.179g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

301.39g/mol

Monoisotopic Mass:

301.179g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2