Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate
RN: 75235-73-3
InChIKey: WXSCQTVAKVOVIX-XEHUNFQUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H47-Cl2-N-O6

Molecular Weight

  • 672.6853
 
* 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

  • Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate

Registry Numbers

CAS Registry Number

  • 75235-73-3

System Generated Number

  • 0075235733

Structure Descriptors

InChI

1S/C37H47Cl2NO6/c1-3-34(41)45-28-12-14-29-26(23-28)9-13-31-30(29)17-18-37(2)32(31)15-16-33(37)46-36(43)24-44-35(42)6-4-5-25-7-10-27(11-8-25)40(21-19-38)22-20-39/h7-8,10-12,14,23,30-33H,3-6,9,13,15-22,24H2,1-2H3/t30-,31-,32+,33+,37+/m1/s1

InChIKey

WXSCQTVAKVOVIX-XEHUNFQUSA-N

Smiles

CCC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)COC(=O)CCCc5ccc(cc5)N(CCCl)CCCl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   British UK Patent Application. Vol. #2028335,
mouse LD50 subcutaneous > 2gm/kg (2000mg/kg)   British UK Patent Application. Vol. #2028335,