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Substance Name: Funtumine
RN: 474-45-3
UNII: 29N9T471HT
InChIKey: POWBIOMTXFDIOP-SYBPFIFISA-N

Molecular Formula

  • C21-H35-N-O

Molecular Weight

  • 317.513
 
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Names and Synonyms

Name of Substance

  • Funtumine

Synonyms

  • 3-alpha-Amino-20-oxo-5-alpha-pregnane
  • 3-alpha-Amino-5-alpha-pregnan-20-one
  • EINECS 207-483-9
  • Funtumine
  • UNII-29N9T471HT

Systematic Names

  • 3alpha-Amino-5alpha-pregnan-20-one
  • 5-alpha-Pregnan-20-one, 3-alpha-amino-
  • Pregnan-20-one, 3-amino-, (3-alpha,5-alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 474-45-3

FDA UNII

  • 29N9T471HT

System Generated Number

  • 0000474453

Structure Descriptors

InChI

1S/C21H35NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12,22H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

POWBIOMTXFDIOP-SYBPFIFISA-N

Smiles

C1[C@@]2([C@H](CC[C@H]2[C@@H]2CC[C@@H]3[C@@](CC[C@H](C3)N)(C)[C@@H]2C1)C(=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intravenous 64mg/kg (64mg/kg)   Annales Pharmaceutiques Francaises. Vol. 18, Pg. 177, 1960.
mouse LD50 intravenous 30mg/kg (30mg/kg)   Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 274, Pg. 2830, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 126 deg C   EXP
pKa Dissociation Constant 9.18 (none)   EXP
log P (octanol-water) 3.970 (none)   EST
Atmospheric OH Rate Constant 7.69E-11 cm3/molecule-sec 25 EST

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