
IUPAC name
(2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
SMILES
[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O
Compound class
Angiotensin-Converting Enzyme Inhibitors; Antihypertensive Agents; Cardiovascular System; Agents Acting on the Renin-Angiotensin System; ACE Inhibitors, Plain; ACE Inhibitors and Calcium Channel Blockers;
Therapeutic area
For the treatment of mild to moderate hypertension, as an adjunct in the treatment of congestive heart failure (CHF), to improve survival following myocardial infarction (MI) in individuals who are hemodynamically stable and demonstrate symptoms of left ventricular systolic dysfunction or signs of CHF within a few days following acute MI, and to slow progression of renal disease in hypertensive patients with diabetes mellitus and microalbuminuria or overt nephropathy.
Common name
Trandolapril
IUPAC name
(2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
SMILES
[H][C@@]12C[C@H](N(C(=O)[C@H](C)N[C@@H](CCC3=CC=CC=C3)C(=O)OCC)[C@@]1([H])CCCC2)C(O)=O
INCHI
InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1
FORMULA
C24H34N2O5

Common name
Trandolapril
IUPAC name
(2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
Molecular weight
430.537
clogP
2.823
clogS
-3.547
HBond Acceptor
5
HBond Donor
2
Total Polar
Surface Area
95.94
Number of Rings
3
Rotatable Bond
11
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00025 | propan-1-amine |
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CCCN | 0.0292 |
FDBF00040 | ethanamine |
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CCN | 0.0677 |
FDBF00073 | N-ethylpropan-1-amine |
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N(CCC)CC | 0.0086 |
FDBF00100 | ethyl formate |
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O(C=O)CC | 0.0244 |
FDBF00190 | ethyl propanoate |
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C(C)C(=O)OCC | 0.0086 |
FDBF00192 | ethyl (2S)-2-aminopropanoate |
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C(C)(N)C(=O)OCC | 0.0031 |
FDBF00194 | 3-phenylpropan-1-amine |
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C(c1ccccc1)CCN | 0.0052 |
FDBF01171 | (2S,3aR,7aS)-1-propanoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
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C(C)C(=O)N1C2C(CC1C(=O)O)CCCC2 | 0.0003 |
FDBF01172 | (2S,3aR,7aS)-1-formyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid |
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O=CN1C2C(CC1C(=O)O)CCCC2 | 0.0003 |