1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide hydrochloride (1:1) | CAS No. 686347-12-6

1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide hydrochloride (1:1)

Basic Information

CAS Number

686347-12-6

Molecular Formula

C25H26Cl3N7O

Molecular Weight

546.89 g/mol

AD

Basic Physical Properties

Melting Point

275-276℃ (decomposition)

Solubility

DMSO: soluble1mg/mL, clear (warmed)

CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)C(=O)N.Cl

InChI

InChI=1S/C25H25Cl2N7O.ClH/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27;/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35);1H

InChIKey

KPYUQCJBZGQHPL-UHFFFAOYSA-N

LogP

4.644900000000004

Topological Polar Surface Area

101.96 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

729

Synonyms & References

English

  • Otenabant hydrochloride
  • Otenabant(CP945598.HCl)
  • 1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboximidic acid--hydrogen chloride (1/1)
  • CP 945598-01
  • 686347-12-6
  • 919516-56-6
  • A860179
  • EX-A142
  • Otenabant HCl
  • Otenabant (Hydrochloride)
  • AKOS024458047
  • CP945598HCL
  • HY-10871A
  • s8012
  • Otenabant hydrochloride [USAN]
  • SB16484
  • Cp945598.HCl
  • SCHEMBL3932007
  • CP-945598 Hydrochloride
  • BCP06883
  • CP 945598 Hydrochloride
  • 1-(8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl)-4-(ethylamino)piperidine-4-carboxamide monohydrochloride
  • CCG-269986
  • CS-1278
  • 1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide hydrochloride
  • Q27293347
  • Otenabant HCl
  • AC-32887
  • 1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide hydrochloride
  • UNII-X2166Z319O
  • 4-PIPERIDINECARBOXAMIDE, 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4- (ETHYLAMINO)-, MONOHYDROCHLORIDE

MDL Number

MFCD18251544

FAQ

What regulatory guidelines apply to 1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide hydrochloride (CAS: 686347-12-6)?

The compound must comply with GHS classification, REACH regulations, and FDA/EPA related requirements. Regulatory guidelines include safety data sheets (SDS), material safety data sheets (MSDS), and proper labeling to ensure safe handling and storage.

Are there alternatives to 1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide hydrochloride (CAS: 686347-12-6) in synthesis?

Alternative reagents such as 1-(8-phenyl-9H-purin-6-yl)-4-(ethylamino)-4-piperidinecarboxamide or related analogs can be considered. Isomers and common substitutes include 1-(9H-purin-6-yl)-4-(ethylamino)piperidine-4-carboxamide, providing options for synthetic pathways.

What is the market or research trend for 1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide hydrochloride (CAS: 686347-12-6)?

The market trend for this compound reflects growing interest in its potential as a therapeutic agent, particularly in oncology and antimicrobial research. Research is exploring its efficacy and safety, with increasing focus on its application in targeted drug delivery systems.

How should waste containing 1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide hydrochloride (CAS: 686347-12-6) be handled?

Waste containing the compound should be collected separately and disposed of through professional waste disposal services. Incineration should be done in an enclosed combustion system to prevent the release of harmful chlorinated compounds. Environmental protection measures include minimizing spillage and ensuring proper containment to avoid soil and water contamination.

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