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Substance Name: Pachysandrine A
RN: 6879-28-3
InChIKey: ZQUSGHWWSCAMAR-BIVHXRCOSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C33-H50-N2-O3

Molecular Weight

  • 522.769
 
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Names and Synonyms

Results Name

  • Pachysandrine A

Synonym

  • Pachysandrine A

Systematic Name

  • Benzamide, N-((3-alpha,4-beta,5-alpha,20S)-4-(acetyloxy)-20-(dimethylamino)pregnan-3-yl)-N-methyl-

Registry Numbers

CAS Registry Number

  • 6879-28-3

System Generated Number

  • 0006879283

Structure Descriptors

InChI

1S/C33H50N2O3/c1-21(34(5)6)25-15-16-26-24-13-14-28-30(38-22(2)36)29(35(7)31(37)23-11-9-8-10-12-23)18-20-33(28,4)27(24)17-19-32(25,26)3/h8-12,21,24-30H,13-20H2,1-7H3/t21?,24?,25-,26?,27?,28+,29?,30-,32-,33-/m1/s1

InChIKey

ZQUSGHWWSCAMAR-BIVHXRCOSA-N

Smiles

C(c1ccccc1)(=O)N(C)[C@@H]1CC[C@@]2([C@@H]3CC[C@@]4([C@@H]([C@@H](C)N(C)C)CC[C@@H]4[C@@H]3CC[C@@H]2[C@H]1OC(=O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Planta Medica. Vol. 52, Pg. 56, 1986.