Sjg 136

(6aS)-3-[3-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one

Also Known As: SJG-136|SJG 136|SJG136|SG-2000|BN-2629|UP-2001|SJG 136 [WHO-DD]|SP-2001|UP 2001|SJD-136|KST-1A2961|EX-A9464|CS-4593|NCI60_033825|J1.495.937H|(6aS)-3-[3-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one|5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 8,8'-[1,3-propanediylbis(oxy)]bis[1,2,3,11a-tetrahydro-7-methoxy-2-methylene-, (11aS,11'aS)-|(6as)-3-[3-[[(6as)-2-methoxy-8-methylene-11-oxo-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-8-methylene-7,9-dihydro-6ah-pyrrolo[2,1-c][1,4]benzodiazepin-11-one|(11aS,11'aS)-8,8'-[1,3-Propanediylbis(oxy)]bis[1,2,3,11a-tetrahydro-7-methoxy-2-methylene-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one]

Molecular Formula	C31H32N4O6
Molecular Weight	556.2322 g/mol
LogP	1.9
Topological Polar Surface Area	102.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	556.2322
Monoisotopic Mass	556.2322
Heavy Atoms	41
Complexity	1020.0

Chemical Identifiers

CAS Number	232933-99-2
SMILES	COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C=N2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC
InChIKey	RWZVMMQNDHPRQD-SFTDATJTSA-N