Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-1,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochloride, hydrate (2:2:1), (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-
RN: 111188-69-3
InChIKey: ARUKYXZVGDBLIW-REWHUKDOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H41-N-O8.Cl-H.1/2H2-O

Molecular Weight

  • 532.0698
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-1,4a,7,7,10a-pentamethyl-5,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochloride, hydrate (2:2:1), (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-alpha))-

Registry Numbers

CAS Registry Number

  • 111188-69-3

System Generated Number

  • 0111188693

Molecular Formulas

Molecular Formula

  • C26-H41-N-O8.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C26-H41-N-O8
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H41NO8.ClH/c1-7-16-15(2)21(30)26(32)24(5)17(28)8-9-23(3,4)20(24)19(22(31)25(26,6)35-16)34-18(29)14-27-10-12-33-13-11-27;/h7,15-17,19-20,22,28,31-32H,1,8-14H2,2-6H3;1H/t15?,16-,17-,19-,20-,22-,24-,25+,26-;/m1./s1

InChIKey

ARUKYXZVGDBLIW-REWHUKDOSA-N

Smiles

CC1[C@H](O[C@]2([C@@H]([C@@H]([C@H]3[C@]([C@@]2(C1=O)O)([C@@H](CCC3(C)C)O)C)OC(=O)CN4CCOCC4)O)C)C=C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 82500ug/kg (82.5mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 1872, 1988.