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Home > Encyclopedia > L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1)

L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1)

L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1) structure

L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1) 

structure
  • CAS No:

    85921-53-5

  • Formula:

    C19H30N2O5S.1/2Ca

  • Chemical Name:

    L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1)

  • Synonyms:

    L-Proline,N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-,calcium salt (2:1);L-Proline,1-[3-[[2-[(cyclohexylcarbonyl)amino]-1-oxopropyl]thio]-2-methyl-1-oxopropyl]-,calcium salt (2:1),[R-(R*,S*)]-;MC 838;Altiopril calcium;Moveltipril calcium;L-Proline,1-[(2S)-3-[[(2R)-2-[(cyclohexylcarbonyl)amino]-1-oxopropyl]thio]-2-methyl-1-oxopropyl]-,calcium salt (2:1);Lowpres;94731-46-1

L-Proline, N-(cyclohexylcarbonyl)-D-alanyl-(2S)-3-mercapto-2-methylpropanoyl-, calcium salt (2:1) Basic Attributes

835.1

834.32200

SB44S25HE5

Characteristics

236.16000

4.58920

1.248g/cm3

190 °C

658.9ºC at 760mmHg

352.3ºC

LD50 in male, female mice, male, female rats (g/kg): all >10.0 orally; 2.1, 2.3, 1.3, 1.3 i.p.; 3.0, 3.8, 3.4, 3.9 s.c.; and in male, female dogs (g/kg): >6.0, >6.0 orally (Sakai)

D20 -48 to -52° (c = 1 in methanol)

Drug Information

altiopril calcium

Computed Properties

Molecular Weight:835.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:14
Exact Mass:834.3220273
Monoisotopic Mass:834.3220273
Topological Polar Surface Area:264
Heavy Atom Count:55
Complexity:571
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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