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Substance Name: Bufotoxin
RN: 464-81-3
UNII: L30U3VAH5C
InChIKey: HDTHCLKLBSPBIS-JBXNKDOXSA-N

Note

  • From skin of Bufo americanus.

Classification Code

  • Natural Product

Molecular Formula

  • C40-H60-N4-O10

Molecular Weight

  • 756.932
 
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Names and Synonyms

Name of Substance

  • Bufotoxin

Synonyms

  • 4-18-00-02557 (Beilstein Handbook Reference)
  • BRN 0077579
  • Bufotalin 3-suberoylarginine ester
  • Bufotoxin
  • Regularo-bufotoxin
  • UNII-L30U3VAH5C
  • Vulgarobufotoxin

Systematic Name

  • 5-beta-Bufa-20,22-dienolide, 3-beta,14,16-beta-trihydroxy-, 16-acetate, 3-N(sup 2)-esterwith N(sup 2)-(7-carboxyheptanoyl)-L-arginine

Registry Numbers

CAS Registry Number

  • 464-81-3

FDA UNII

  • L30U3VAH5C

Other Registry Number

  • 22369-00-2

System Generated Number

  • 0000464813

Structure Descriptors

InChI

1S/C40H60N4O10/c1-24(45)53-31-22-40(51)29-14-13-26-21-27(16-18-38(26,2)28(29)17-19-39(40,3)35(31)25-12-15-33(47)52-23-25)54-34(48)11-7-5-4-6-10-32(46)44-30(36(49)50)9-8-20-43-37(41)42/h12,15,23,26-31,35,51H,4-11,13-14,16-22H2,1-3H3,(H,44,46)(H,49,50)(H4,41,42,43)/t26-,27+,28+,29-,30+,31+,35+,38+,39-,40+/m1/s1

InChIKey

HDTHCLKLBSPBIS-JBXNKDOXSA-N

Smiles

CC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1c5ccc(=O)oc5)C)C)OC(=O)CCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 300ug/kg (0.3mg/kg)   Toxicon. Vol. 7, Pg. 315, 1969.
cat LD50 unreported 300ug/kg (0.3mg/kg)   Pharmazie in Unserer Zeit. Vol. 13, Pg. 129, 1984.
mouse LD50 subcutaneous 400ug/kg (0.4mg/kg)   Naturwissenschaften. Vol. 56, Pg. 615, 1969.
mouse LD50 unreported 400ug/kg (0.4mg/kg)   Pharmazie in Unserer Zeit. Vol. 13, Pg. 129, 1984.