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Substance Name: 4-Morpholineacetic acid, 3-ethenyldodecahydro-1-oxo-3,4a,7,7,10a-pentamethyl-6,10,10b-trihydroxy-1H-naphtho(2,1-b)pyran-5-yl ester, hydrochloride, (3R-(3-alpha,4a-beta,5-beta,6-beta,6a-alpha,10-alpha,10a-beta,10b-beta))-
RN: 105535-53-3
InChIKey: UFGYVEUZOABNTE-OYNLGCBQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H41-N-O8.Cl-H

Molecular Weight

  • 532.0698
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 105535-53-3

System Generated Number

  • 0105535533

Molecular Formulas

Molecular Formula

  • C26-H41-N-O8.Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C26H41NO8.ClH/c1-7-23(4)14-17(29)26(32)24(5)16(28)8-9-22(2,3)20(24)19(31)21(25(26,6)35-23)34-18(30)15-27-10-12-33-13-11-27;/h7,16,19-21,28,31-32H,1,8-15H2,2-6H3;1H/t16-,19-,20-,21-,23-,24-,25+,26-;/m0./s1

InChIKey

UFGYVEUZOABNTE-OYNLGCBQSA-N

Smiles

C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)CN4CCOCC4)O)(C)C)O)C)O)C=C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 1872, 1988.