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Substance Name: Milliamine A hydrochloride
RN: 100311-38-4
InChIKey: JDKXHQINJIAAEZ-UHFFFAOYSA-N

Molecular Formula

  • C45-H49-N3-O10.Cl-H

Molecular Weight

  • 828.354
 
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Names and Synonyms

Results Name

  • Milliamine A hydrochloride

Synonyms

  • Milliamine A HCl
  • Milliamine A hydrochloride

Systematic Name

  • Benzoic acid, 2-((2-((2-dimethylamino)benzoyl)amino-3-hydroxybenzoyl)amino)-, 4-((acetyloxy)methyl)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-1H-,2a,8a-methanocyclopenta(a)cyclopropa(e)cyclodecen-6-yl ester, (1aR-(1a-alpha,2-alpha,5-beta,5a-beta,6-beta,8a-alpha,9-alpha,10a-alpha))-, hydrochloride

Registry Numbers

CAS Registry Number

  • 100311-38-4

System Generated Number

  • 0100311384

Molecular Formulas

Molecular Formula

  • C45-H49-N3-O10.Cl-H

Molecular Formula Fragments

  • C45-H49-N3-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C45H49N3O10.ClH/c1-23-19-31-36(43(31,4)5)44-21-24(2)39(45(44,56)37(51)26(22-57-25(3)49)20-30(23)38(44)52)58-42(55)27-13-8-10-16-32(27)46-41(54)29-15-12-18-34(50)35(29)47-40(53)28-14-9-11-17-33(28)48(6)7;/h8-18,20-21,23,30-31,36-37,39,50-51,56H,19,22H2,1-7H3,(H,46,54)(H,47,53);1H

InChIKey

JDKXHQINJIAAEZ-UHFFFAOYSA-N

Smiles

CC1CC2C(C2(C)C)C34C=C(C(C3(C(C(=CC1C4=O)COC(=O)C)O)O)OC(=O)c5ccccc5NC(=O)c6cccc(c6NC(=O)c7ccccc7N(C)C)O)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 642ug/kg (0.642mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Bulletin of the Chemical Society of Japan. Vol. 50, Pg. 2005, 1977.