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Substance Name: Carpaine
RN: 3463-92-1
UNII: VLR223H4QP
InChIKey: AMSCMASJCYVAIF-QCVMBYIASA-N

Note

  • Papaya alkaloid.

Molecular Formula

  • C28-H50-N2-O4

Molecular Weight

  • 478.713
 
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Names and Synonyms

Name of Substance

  • Carpaine

Synonyms

  • EINECS 222-414-2
  • UNII-VLR223H4QP

Systematic Names

  • 13,26-Dimethyl-2,15-dioxa-12,25-diazatricyclotriacontane-3,16-dione
  • Carpaine

Registry Numbers

CAS Registry Number

  • 3463-92-1

FDA UNII

  • VLR223H4QP

System Generated Number

  • 0003463921

Structure Descriptors

InChI

1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1

InChIKey

AMSCMASJCYVAIF-QCVMBYIASA-N

Smiles

C[C@@H]1N[C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@H]1CC2)N[C@H]3C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 121 deg C   EXP
log P (octanol-water) 6.750 (none)   EST
Atmospheric OH Rate Constant 2.58E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.