[(1alpha,6beta,14alpha,16beta)-20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoate 2-hydroxy-1,2,3-propanetricarboxylate (1:1) | CAS No. 351344-10-0

[(1alpha,6beta,14alpha,16beta)-20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoate 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Basic Information

CAS Number

351344-10-0

Molecular Formula

C43H58N2O17

Molecular Weight

874.93 g/mol

AD

Basic Physical Properties

CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C37H50N2O10.C6H8O7/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+;/m0./s1

InChIKey

INBLZNJHDLEWPS-OULUNZSJSA-N

LogP

0.7866000000000077

Topological Polar Surface Area

276.43 Ų

Hydrogen Bond Donor/Acceptor

6 / 19

Complexity

1610

Synonyms & References

English

  • MLA
  • 20-Ethyl-1alpha,6beta,14alpha,16beta-tetramethoxy-4-[[[2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]ben
  • Methyllycaconitine citrate

FAQ

What is [(1alpha,6beta,14alpha,16beta)-20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoate 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS: 351344-10-0)?

This compound is a complex organic molecule with multiple functional groups, including an ester, a pyrrolidinyl group, and hydroxyl and methoxy substituents. It is characterized by its CAS number 351344-10-0 and has a molecular structure that includes a benzene ring, a pyrrolidine ring, and several hydroxyl and methoxy groups.

What are the main uses of [(1alpha,6beta,14alpha,16beta)-20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoate 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS: 351344-10-0)?

This compound is primarily used in pharmaceutical applications, as a potential intermediate or active pharmaceutical ingredient (API) in the development of drugs. It may also be used in research and development for its unique chemical properties.

Is [(1alpha,6beta,14alpha,16beta)-20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoate 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS: 351344-10-0) safe?

This compound is generally safe when handled with proper safety measures. It is important to follow standard laboratory safety protocols, including the use of personal protective equipment (PPE) and proper ventilation. Exposure to the skin or eyes should be avoided, and ingestion or inhalation of the compound should be strictly prevented.

How should [(1alpha,6beta,14alpha,16beta)-20-Ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoate 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (CAS: 351344-10-0) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat. It is recommended to store it in a closed container to prevent exposure to air and moisture. The temperature should be maintained between 15-25°C, and the relative humidity should be controlled to less than 60% to ensure stability.

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