Mrv1718007041820082D          

 32 34  0  0  0  0            999 V2000
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    0.3242   -1.8057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2833   -1.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5337   -0.2253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 16 32  1  1  0  0  0
M  END
> <DATABASE_ID>
DB00542

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][C@@]1(CCC2=CC=CC=C2N(CC(O)=O)C1=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1

> <INCHI_KEY>
XPCFTKFZXHTYIP-PMACEKPBSA-N

> <FORMULA>
C24H28N2O5

> <MOLECULAR_WEIGHT>
424.4895

> <EXACT_MASS>
424.199822016

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
44.976843104597805

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[(3S)-3-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid

> <ALOGPS_LOGP>
1.14

> <JCHEM_LOGP>
1.5374391462736676

> <ALOGPS_LOGS>
-4.61

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
18.005407018196603

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5270801541778045

> <JCHEM_PKA_STRONGEST_BASIC>
5.359401274650192

> <JCHEM_POLAR_SURFACE_AREA>
95.94000000000001

> <JCHEM_REFRACTIVITY>
115.22790000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
benazepril

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00542

> <SECONDARY_ACCESSION_NUMBERS>
APRD00063

> <DRUG_GROUPS>
approved; investigational

> <GENERIC_NAME>
Benazepril

> <SYNONYMS>
Bénazépril; Benazepril; Benazeprilum

> <PRODUCTS>
Amlobenz; Amlodipine Besylate and Benazepril HCL; Amlodipine Besylate and Benazepril Hydrochloride; Amlodipine and Benazepril Hydrochloride; Amlodipine besylate and Benazepril hydrochloride; Amlodipine besylate and benazepril hydrochloride; Amoldipine Benazepril HCl; Benazepril; Benazepril Hydrochloride; Benazepril Hydrochloride and Hydrochlorothiazide; Benazepril and Hydrochlorothiazide; Benazepril hydrochloride; Benazepril hydrochloride and hydrochlorothiazide; Lotensin; Lotensin 10mg; Lotensin 20mg; Lotensin 5mg; Lotensin HCT; Lotrel; PMS-benazepril

> <INTERNATIONAL_BRANDS>
Briem; Cibacen; Cibacen WS; Cibacene

> <SALTS>
Benazepril hydrochloride

$$$$