Product Name

  • Name

    (3S,6S)-3,6-bis[(2S,5R)-5-chloropiperidin-2-yl]piperazine-2,5-dione dihydrochloride

  • EINECS
  • CAS No. 41109-80-2
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C14H22Cl2H4O2•2ClH
  • Boiling Point 668.9°Cat760mmHg
  • Molecular Weight 422.22
  • Flash Point 358.3°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 41109-80-2 ((3S,6S)-3,6-bis[(2S,5R)-5-chloropiperidin-2-yl]piperazine-2,5-dione dihydrochloride)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidyl)-, dihydrochloride Chemical Properties

Product Name: 2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidyl)-, dihydrochloride 
CAS Registry Number: 41109-80-2
Synonyms: 3,6-Bis(5-chloro-2-piperidyl)-2,5-piperazinedione dihydrochloride ; 593-A ; Actinomycete fermentation product ; Compound 593A ; NSC-135758 ; Piperazinedione 593A ; 2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidinyl)-,
dihydrochloride, (3S-(3alpha(2S*,5R*),6alpha(2S*,5R*)))-(9CI) ; 2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidyl)-,dihydrochloride 
IUPAC Name: (3S,6S)-3,6-bis[(2S,5R)-5-chloropiperidin-2-yl]piperazine-2,5-dione dihydrochloride 
Molecular Weight: 422.17796 [g/mol]
Molecular Formula: C14H24Cl4N4O2
H-Bond Donor: 6
H-Bond Acceptor: 4 
Flash Point: 372.2 °C
Enthalpy of Vaporization: 103.19 kJ/mol
Boiling Point: 691.8 °C at 760 mmHg
Vapour Pressure: 2.19E-19 mmHg at 25°C 
Following is the molecular structure of 2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidyl)-, dihydrochloride (CAS NO.41109-80-2) is:

2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidyl)-, dihydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 1500ug/kg (1.5mg/kg)   Drugs of the Future. Vol. 3, Pg. 610, 1978.
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 153, 1980.
mouse LD50 intravenous 19970ug/kg (19.97mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS

SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 National Technical Information Service. Vol. PB82-165200,
mouse LD50 oral 11020ug/kg (11.02mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 subcutaneous 8160ug/kg (8.16mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidyl)-, dihydrochloride Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.

2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidyl)-, dihydrochloride Specification

Descriptors computed from structure, you can know some information about 2,5-Piperazinedione, 3,6-bis(5-chloro-2-piperidyl)-, dihydrochloride (CAS NO.41109-80-2) :
Canonical SMILES: C1CC(NCC1Cl)C2C(=O)NC(C(=O)N2)C3CCC(CN3)Cl.Cl.Cl
Isomeric SMILES: C1C[C@H](NC[C@@H]1Cl)[C@H]2C(=O)N[C@H](C(=O)N2)[C@@H]3CC[C@H](CN3)Cl.Cl.
Cl
InChI: InChI=1S/C14H22Cl2N4O2.2ClH/c15-7-1-3-9(17-5-7)11-13(21)20-12(14(22)19-
11)10-4-2-8(16)6-18-10;;/h7-12,17-18H,1-6H2,(H,19,22)(H,20,21);2*1H/t7-,
8-,9+,10+,11+,12+;;/m1../s1
InChIKey: BTIDXNPBPKDZOX-NRKBBMOMSA-N

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