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diltiazem

diltiazem

CAS: 42399-41-7

Formula: C22H26N2O4S

SMILES: COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O

IUPAC: (2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate

InChI: InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1

Composition: C (63.75%), H (6.32%), N (6.76%), O (15.44%), S (7.73%)

Molar Mass: 414.52

Atom Count: 55

Heavy Atom Count: 29

Properties
Properties
Common Names Dilacor-XR; acalix; adizem; aldizem; altiazem; anginyl; angizem; anoheal; apo-diltiaz; britiazim; bruzem; calcicard; cardil; cardizem; cardizem CD; cardizem LA; cardizem SR; cardizen LA; cartia XT; citizem; cormax; d-cis-diltiazem; deltazen; dilacor; dilacor XR; dilacor xr; diladel; dilcontin; dilpral; dilren; dilrene; dilt-cd; dilta-hexal; diltia; diltiazem; diltiazem (product); diltiazem (substance); diltiazem preparation; diltiazemum; dilticard; dilzem; dilzen; endrydil; herbesser; incoril AP; malate, diltiazem; masdil; novo-diltazem; nu-diltiaz; surazem; syn-diltiazem; tiamate; tiazac; tiazac XC; tiazac tildiem; viazem
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 414.161328499
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey HSUGRBWQSSZJOP-RTWAWAEBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.37
Topological Polar Surface Area 59.08
Polarizability 44.82
Ring Count 3
Rotatable Bond Count 7

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