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Substance Name: Herqueline
RN: 71812-08-3
InChIKey: UFKNDVKQCSBIQE-OCANJJRCSA-N

Note

  • Alkaloid produced by Penicillium herquei.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H26-N2-O2

Molecular Weight

  • 314.426
 
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Names and Synonyms

Name of Substance

  • Herqueline

Synonyms

  • Herqueline
  • Herquiline
  • Herquline

Systematic Name

  • 4H-5,2-(Iminomethano)-11,7-methenopyrrolo(3,2,1-no)(1)benzazacycloundecine-10,12-dione, 1,2,5,6,8,9,11,11a,13,14,14a,14b-dodecahydro-16-methyl-, (2R*,5R*,11S*,11aS*,14aS*,14bR*)-(-)-

Registry Numbers

CAS Registry Number

  • 71812-08-3

System Generated Number

  • 0071812083

Structure Descriptors

InChI

1S/C19H26N2O2/c1-20-9-14-8-12-3-5-17(23)18-15-7-11(2-4-16(15)22)6-13(20)10-21(14)19(12)18/h7,12-15,18-19H,2-6,8-10H2,1H3/t12-,13+,14+,15+,18+,19+/m1/s1

InChIKey

UFKNDVKQCSBIQE-OCANJJRCSA-N

Smiles

C1C[C@@H]2C[C@@H]3[N@@]4[C@@H]2[C@H](C1=O)[C@@H]1C(CCC(=C1)C[C@@H](C4)[N@@](C3)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 32, Pg. 786, 1979.