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19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate hydrochloride

19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate hydrochloride

CAS: 467214-21-7

Formula: C32H49ClN4O8

SMILES: Cl.COC1CC(C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)C(C)=CC=CC(OC)C(OC(N)=O)C(C)=CC(C)C1O)C2=O

IUPAC: 19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate hydrochloride

InChI: InChI=1/C32H48N4O8.ClH/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8;/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40);1H

Composition: C (58.84%), H (7.56%), Cl (5.43%), N (8.58%), O (19.59%)

Molar Mass: 653.21

Atom Count: 94

Heavy Atom Count: 45

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 6
Exact Mass 652.3238923
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 4
InChIKey DFSYBWLNYPEFJK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 172.38
Topological Polar Surface Area 169.52
Polarizability 64.97
Ring Count 2
Rotatable Bond Count 8

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 467214-21-7 Quote Only