Responsive image

Common name


Valsartan

IUPAC name


(2S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid

SMILES


CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O

Compound class


Antihypertensive Agents; Angiotensin II Type 1 Receptor Blockers; Angiotensin Receptor Antagonists; Lipid Modifying Agents; Cardiovascular System; Angiotensin II Antagonists, Plain; Agents Acting on the Renin-Angiotensin System; Angiotensin II Antagonists and Diuretics; Angiotensin II Antagonists and Calcium Channel Blockers; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Angiotensin II Receptor Antagonists;

Therapeutic area


May be used as a first line agent to treat uncomplicated hypertension, isolated systolic hypertension and left ventricular hypertrophy. May be used as a first line agent to delay progression of diabetic nephropathy. Losartan may be also used as a second line agent in the treatment of congestive heart failure, systolic dysfunction, myocardial infarction and coronary artery disease in those intolerant of ACE inhibitors.

Common name


Valsartan

IUPAC name


(2S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid

SMILES


CCCCC(=O)N(CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)[C@@H](C(C)C)C(O)=O

INCHI


InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1

FORMULA


C24H29N5O3

Responsive image

Common name


Valsartan

IUPAC name


(2S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid

Molecular weight


435.519

clogP


4.209

clogS


-5.740

HBond Acceptor


6

HBond Donor


2

Total Polar
Surface Area


112.07

Number of Rings


3

Rotatable Bond


11

Drug ID Common name Structure CAS SMILE Frequency
FDBF00015 acetamide Responsive image NC(=O)C 0.0460
FDBF00023 toluene Responsive image c1(ccccc1)C 0.1268
FDBF00026 propanamide Responsive image CCC(=O)N 0.0148
FDBF00031 N-methylpropanamide Responsive image N(C(=O)CC)C 0.0069
FDBF00067 butane Responsive image CCCC 0.0680
FDBF00179 3-methylbutanoic acid Responsive image C(C)(C)CC(=O)O 0.0027
FDBF00180 5-phenyl-1H-tetrazole Responsive image c1c(cccc1)c2[nH]nnn2 0.0027
FDBF00184 N-benzylacetamide Responsive image c1(ccccc1)CNC(=O)C 0.0014
FDBF00186 N-benzylpropanamide Responsive image CCC(=O)NCc1ccccc1 0.0007
FDBF00187 N-methylpentanamide Responsive image C(CC(=O)NC)CC 0.0017
20 , 3