Mrv1909 01072122552D          

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M  END
> <DATABASE_ID>
DB00343

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O

> <INCHI_IDENTIFIER>
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

> <INCHI_KEY>
HSUGRBWQSSZJOP-RTWAWAEBSA-N

> <FORMULA>
C22H26N2O4S

> <MOLECULAR_WEIGHT>
414.518

> <EXACT_MASS>
414.16132802

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9373891059483869

> <JCHEM_AVERAGE_POLARIZABILITY>
43.679221382801245

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <JCHEM_LOGP>
2.7272518843333335

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.860751889993132

> <JCHEM_PKA_STRONGEST_BASIC>
8.175280193715892

> <JCHEM_POLAR_SURFACE_AREA>
59.08

> <JCHEM_REFRACTIVITY>
114.36630000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
disodium dexamethasone phosphate(2-)

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00343

> <SECONDARY_ACCESSION_NUMBERS>
APRD00473

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Diltiazem

> <SYNONYMS>
(+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester; (2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one; (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate; Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester; d-cis-diltiazem; Diltiazem; Diltiazemum

> <PRODUCTS>
Aa-diltiaz; Act Diltiazem CD; Act Diltiazem T; Alti-diltiazem Tab 30mg; Alti-diltiazem Tab 60mg; Apo-diltiaz CD; Apo-diltiaz Injectable; Apo-diltiaz SR; Apo-diltiaz TZ; Ava-diltiazem; Cardizem; Cardizem CD; Cardizem Injectable; Cardizem Injectable Liq 5mg/ml; Cardizem LA; Cardizem SR 120mg; Cardizem SR 60mg; Cardizem SR 90mg; Cartia XT; Cartia Xt; Dilacor XR; Dilt-CD; Diltia XT; Diltiazem CD; Diltiazem HCL ER; Diltiazem HCl; Diltiazem HCl CD; Diltiazem Hci; Diltiazem Hydrochloride; Diltiazem Hydrochloride EXTENDED RELEASE; Diltiazem Hydrochloride Extended Release; Diltiazem Hydrochloride Extended Release Extended Release; Diltiazem Hydrochloride Extended-Release; Diltiazem Hydrochloride Extended-release; Diltiazem Hydrochloride Injection; Diltiazem HydrochlorideExtended Release Extended Release; Diltiazem T; Diltiazem TZ; Diltiazem Tablets 30mg; Diltiazem Tablets 60mg; Diltiazem hydrochloride; Diltiazem-30 Tab 30mg; Diltiazem-60 Tab 60mg; Diltiazem-CD; Diltzac; Gen-diltiazem - Tab 30mg; Gen-diltiazem - Tab 60mg; Gen-diltiazem CD; Gen-diltiazem SR 120mg; Gen-diltiazem SR 60mg; Gen-diltiazem SR 90mg; Jamp Diltiazem CD; Jamp Diltiazem T; Mar-diltiazem CD; Mar-diltiazem T; Matzim LA; Med Diltiazem - Tab 30mg; Med Diltiazem - Tab 60mg; Novo-diltazem SR Capsules; Nu-diltiaz Tab 30mg; Nu-diltiaz Tab 60mg; Nu-diltiaz-CD Capsules; Nu-diltiaz-CD Capsules 120mg; Nu-diltiaz-CD Capsules 180mg; Nu-diltiaz-CD Capsules 240mg; PMS-diltiazem CD; Penta-diltiazem - 30mg; Penta-diltiazem - 60mg; Pro-diltiazem CD; Ratio-diltiazem CD; Sandoz Diltiazem CD; Sandoz Diltiazem T; Taro-diltiazem T; Taro-diltiazem Tab 30mg; Taro-diltiazem Tab 60mg; Taztia Xt; Teva-diltiazem; Teva-diltiazem CD; Teva-diltiazem HCl ER; Teva-diltiazem Xc; Tiadylt ER; Tiazac; Tiazac Extended Release; Tiazac Xc; Tria-diltiazem 30mg Tablets; Tria-diltiazem 60 Mg Tablets

> <INTERNATIONAL_BRANDS>
Acalix; Adizem; Altiazem; Anoheal; Calcicard; Cartia; Dilacor; Dilacor-XR; Dilcontin; Dilrene; Dilticard; Dilzem; Herbesser; Incoril AP; Masdil; Surazem; TAZTIA; Tildem; Viazem

> <SALTS>
Diltiazem hydrochloride; Diltiazem malate; Diltiazem maleate

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