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145513-33-3 molecular structure
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(2R,3aS,7aS)-1-[(2S)-2-{[(2R)-1-ethoxy-1-oxopentan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid

ChemBase ID: 176376
Molecular Formular: C19H32N2O5
Molecular Mass: 368.46778
Monoisotopic Mass: 368.23112213
SMILES and InChIs

SMILES:
C1CC[C@H]2[C@@H](C1)C[C@@H](N2C(=O)[C@@H](N[C@H](CCC)C(=O)OCC)C)C(=O)O
Canonical SMILES:
CCC[C@H](C(=O)OCC)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O)C
InChI:
InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13-,14+,15-,16+/m0/s1
InChIKey:
IPVQLZZIHOAWMC-ARKGTOAJSA-N

Cite this record

CBID:176376 http://www.chembase.cn/molecule-176376.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3aS,7aS)-1-[(2S)-2-{[(2R)-1-ethoxy-1-oxopentan-2-yl]amino}propanoyl]-octahydro-1H-indole-2-carboxylic acid
IUPAC Traditional name
(2R,3aS,7aS)-1-[(2S)-2-{[(2R)-1-ethoxy-1-oxopentan-2-yl]amino}propanoyl]-octahydroindole-2-carboxylic acid
Synonyms
[2S-[1[R*(S*)],2α,3aβ,7aβ]]-1-[2-[[1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid
(+/-)-1’’-epi-Perindopril
(1R)-Perindopril
CAS Number
145513-33-3
PubChem SID
164232286
PubChem CID
11946759

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P287501 external link Add to cart
PubChem 11946759 external link
Data Source Data ID Price
TRC
P287501 external link Add to cart Please log in.
Data Source Data ID
PubChem 11946759 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.7860548  H Acceptors
H Donor LogD (pH = 5.5) 0.4626669 
LogD (pH = 7.4) -0.8469951  Log P 0.63074386 
Molar Refractivity 95.6928 cm3 Polarizability 38.332016 Å3
Polar Surface Area 95.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P287501 external link
(1R)-Perindopril is an enantiomer of Perindopril (P287500), an angiotensin-converting enzyme (ACE) inhibitor.

REFERENCES

REFERENCES

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  • • Lees, K.R., et al.: Brit. J. Clin. Pharmacol., 23, 159 (1987)
  • • Morgan, T., et al.: J. Cardiovasc. Pharmacol., 10, Supp. 7, S116, (1987)
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PATENTS

PATENTS

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INTERNET

INTERNET

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