Name: Name:3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester, (4R)- (9CI)
Brand: Angene
SKU: AG00147U
Rating: 90 (10 reviews)

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester, (4R)- (9CI)

CAS No.:

133082-19-6

Catalog Number:

AG00147U

Molecular Formula:

C35H38N4O6

Molecular Weight:

610.6994

Catalog Number:

AG00147U

Chemical Name:

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester, (4R)- (9CI)

CAS Number:

133082-19-6

Molecular Formula:

C35H38N4O6

Molecular Weight:

610.6994

MDL Number:

MFCD11977848

IUPAC Name:

5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

InChI:

InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3/t32-/m1/s1

InChI Key:

ANEBWFXPVPTEET-JGCGQSQUSA-N

SMILES:

COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)C

UNII:

R803FSR459

Complexity:

1090

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

610.279g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

610.711g/mol

Monoisotopic Mass:

610.279g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6