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Enalapril acid
76420-72-9 | DTXSID0048975

Searched by Approved Name: Found 1 result for 'Enalapril acid'.

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Intrinsic Properties

Molecular Formula: C18H24N2O5

Average Mass: 348.399 g/mol

Monoisotopic Mass: 348.168522 g/mol

Structural Identifiers

IUPAC Name: N-[(1R)-1-Carboxy-3-phenylpropyl]-L-alanyl-L-proline

SMILES: C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O

InChI String: InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1

InChIKey: LZFZMUMEGBBDTC-CFVMTHIKSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID0048975 (accessed July 16, 2018), Enalapril acid

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-0.740 (1)

- - - - - -

Melting Point

150 (1)

- - - - -

°C

LogP: Octanol-Water

Average

Median

Range

Experimental

-0.740 (1)

-

-
Predicted - - -
Experimental

Source

Result

PhysPropNCCT

-0.740

Melting Point

Average

Median

Range

Experimental

150 (1)

-

-
Predicted - - -
Experimental

Source

Result

PhysPropNCCT

150 °C

No Environmental Fate/Transport Properties Found.

Found 13 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Enalapril acid
N-[(1R)-1-Carboxy-3-phenylpropyl]-L-alanyl-L-proline
L-Proline, N-[(1R)-1-carboxy-3-phenylpropyl]-L-alanyl-
76420-72-9 Active CAS-RN
EINECS 278-459-3
Enalapril diacid
Enalaprilic acid
MK 421 diacid
N-(1(S)-Carboxy-3-phenylpropyl)-L-alanyl-L-proline
Enalaprilate
Enalaprilatum
UNII-Q508Q118JM FDA Registry Number
Enalaprilat
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

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3144th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

3.95e-07

3.34e-05

Ages 12-19

2.69e-07

1.56e-05

Ages 20-65

2.86e-07

2.03e-05

Ages 65+

2.23e-07

1.63e-05

BMI > 30

2.24e-07

1.84e-05

BMI < 30

3.04e-07

2.09e-05

Repro. Age Females

2.39e-07

2.35e-05

Females

2.38e-07

1.95e-05

Males

2.25e-07

1.53e-05

Total

2.19e-07

1.49e-05

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Executive Summary

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