(S-(R*,R*))-8,8'-(1,3-Propanediylbis(oxy))bis(1,2,3,11a-tetrahydro-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one

Base Information

• Chemical Name: (S-(R*,R*))-8,8'-(1,3-Propanediylbis(oxy))bis(1,2,3,11a-tetrahydro-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
• CAS No.: 140676-21-7
• Molecular Formula: C29H32 N4 O6
• Nikkaji Number: J590.334C
• ChEMBL ID: CHEMBL279754
• Mol file: 140676-21-7.mol

Synonyms:8,8'-(1,3-propanediylbis(oxy))bis((11aS)-11-hydroxy-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo(2,1-c)(1,4)-benzodiazepin-5-one);DSB 120;DSB-120

Chemical Property of (S-(R*,R*))-8,8'-(1,3-Propanediylbis(oxy))bis(1,2,3,11a-tetrahydro-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 532.23218475
• Heavy Atom Count: 39
• Complexity: 886

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Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC
• Isomeric SMILES: COC1=C(C=C2C(=C1)C(=O)N3CCC[C@H]3C=N2)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CCCN6C5=O)OC

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