Calcium (s)-2-benzyl-4-((3ar,7as)-hexahydro-1h-isoindol-2(3h)-yl)-4-oxobutanoate | CAS No. 145525-41-3

Calcium (s)-2-benzyl-4-((3ar,7as)-hexahydro-1h-isoindol-2(3h)-yl)-4-oxobutanoate

Basic Information

CAS Number

145525-41-3

Molecular Formula

C38H48CaN2O6

Molecular Weight

355.49 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

185°C

Boiling Point

519.6°C at 760 mmHg

Solubility

DMSO: ≥10mg/mL at warmed to 60°C

C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C19H25NO3.Ca/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14;/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23);/t15-,16+,17-;/m0./s1

InChIKey

KWKIVJHIPMALGE-VNMUXGFYSA-N

LogP

2.5878000000000005

Topological Polar Surface Area

57.61 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

411

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Kad-1229
  • AM84417
  • AS-80674
  • 2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt, (2(S)-cis)-
  • S 21403
  • KAD 1229
  • UNII-P5WOR98G68
  • MFCD09955408
  • 2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt (2:1), (alphaS,3aR,7aS)-
  • J-008096
  • 2H-Isoindole-2-butanoic acid, octahydro-gamma-oxo-alpha-(phenylmethyl)-, calcium salt, hydrate (2:1:2), (alphaS,3aR,7aS)-
  • calcium bis((2S)-4-[(3aR,7aS)-octahydro-1H-isoindol-2-yl]-2-benzyl-4-oxobutanoate)
  • calcium;(2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoate
  • Q27286263
  • Calcium 2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionate dihydrate
  • DTXSID90872410
  • S21403
  • MITIGLINIDE CALCIUM [WHO-DD]
  • KAD-1229 calcium salt
  • 145525-41-3
  • MITIGLINIDE CALCIUM SALT ANHYDROUS [MI]
  • Calcium 2-benzyl-4-((3aR,7aS)-hexahydro-1H-isoindol-2(3H)-yl)-4-oxobutanoate
  • MITIGLINIDE CALCIUM SALT ANHYDROUS
  • CHEBI:31740
  • ANHYDROUS MITIGLINIDE CALCIUM
  • M3177
  • 2-Benzyl-3-(hexahydro-2-isoindolinylcarbonyl)propionate
  • P5WOR98G68
  • (s)-2-benzyl-4-oxo-4-(cis-perhydroisoindol-2-yl)butyric acid calcium salt
  • calcium (S)-2-benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoate
  • 2H-ISOINDOLE-2-BUTANOIC ACID, OCTAHYDRO-.GAMMA.-OXO-.ALPHA.-(PHENYLMETHYL)-, CALCIUM SALT (2:1), (.ALPHA.S,3AR,7AS)-

MDL Number

MFCD09955408

Customs Code

2942000000

FAQ

What is Calcium (s)-2-benzyl-4-((3ar,7as)-hexahydro-1h-isoindol-2(3h)-yl)-4-oxobutanoate (CAS: 145525-41-3)?

Calcium (s)-2-benzyl-4-((3ar,7as)-hexahydro-1h-isoindol-2(3h)-yl)-4-oxobutanoate is a chiral calcium salt with a complex molecular structure, consisting of a hexahydroisoindole ring fused to a benzene ring and a calcium cation. It is primarily used in pharmaceutical applications for the treatment of certain metabolic disorders.

What are the main uses of Calcium (s)-2-benzyl-4-((3ar,7as)-hexahydro-1h-isoindol-2(3h)-yl)-4-oxobutanoate (CAS: 145525-41-3)?

This compound is mainly used in pharmaceuticals for treating hyperparathyroidism and other metabolic bone disorders. It is also utilized in research for studying bone metabolism and as a potential therapeutic agent in osteoporosis treatment.

Is Calcium (s)-2-benzyl-4-((3ar,7as)-hexahydro-1h-isoindol-2(3h)-yl)-4-oxobutanoate (CAS: 145525-41-3) safe?

The compound is generally considered safe when used as directed. However, it should be handled with care due to its potential for causing irritation to the eyes and skin. Proper protective measures, such as gloves and goggles, should be worn during handling. It is important to follow all safety guidelines and storage recommendations to minimize exposure risks.

How should Calcium (s)-2-benzyl-4-((3ar,7as)-hexahydro-1h-isoindol-2(3h)-yl)-4-oxobutanoate (CAS: 145525-41-3) be stored?

Store the compound in a cool, dry place, away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. Ensure the storage area is well-ventilated and access is restricted to trained personnel only. Avoid storing in high humidity or high temperature conditions, as this may affect its stability and effectiveness.

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