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Substance Name: Estra-1,3,5(10)-trien-17-aminium, N,N,N-trimethyl-3-(2-(trimethylammonio)ethoxy)-, diiodide, (17-beta)-
RN: 142575-13-1
InChIKey: LWEFCZQLXGTRNG-VBCLIIPOSA-L
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C26-H44-N2-O.2I
Molecular Weight
- 654.4466
Names and Synonyms
- Estra-1,3,5(10)-trien-17-aminium, N,N,N-trimethyl-3-(2-(trimethylammonio)ethoxy)-, diiodide, (17-beta)-
Registry Numbers
CAS Registry Number
- 142575-13-1
System Generated Number
- 0142575131
Molecular Formulas
Molecular Formula
- C26-H44-N2-O.2I
Molecular Formula Fragments
- C26-H44-N2-O
- COMPONENT
- I
Structure Descriptors
InChI
1S/C26H44N2O.2HI/c1-26-15-14-22-21-11-9-20(29-17-16-27(2,3)4)18-19(21)8-10-23(22)24(26)12-13-25(26)28(5,6)7;;/h9,11,18,22-25H,8,10,12-17H2,1-7H3;2*1H/q+2;;/p-2/t22-,23-,24+,25+,26+;;/m1../s1InChIKey
LWEFCZQLXGTRNG-VBCLIIPOSA-LSmiles
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2[N+](C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LD50 | intraperitoneal | 147ug/kg (0.147mg/kg) | PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 31, Pg. 322, 1992. |