Estrapronicate
CAS Registry Number®
4140-20-9
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CAS Name
EstrapronicateMolecular Formula
C27H31NO4Molecular Mass
433.54Cite this Page
Estrapronicate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4140-20-9 (retrieved ) (CAS RN: 4140-20-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
122-123 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C27H31NO4/c1-3-25(29)31-19-7-9-20-17(15-19)6-8-22-21(20)12-13-27(2)23(22)10-11-24(27)32-26(30)18-5-4-14-28-16-18/h4-5,7,9,14-16,21-24H,3,6,8,10-13H2,1-2H3/t21-,22-,23+,24+,27+/m1/s1
InChIKey
InChIKey=FXMSQUVSUXBBAB-TXDQRGGKSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(CC)=O)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(=O)C=5C=CC=NC5)[H]
Canonical SMILES
O=C(OC1CCC2C3CCC4=CC(OC(=O)CC)=CC=C4C3CCC12C)C=5C=NC=CC5
Other Names for this Substance
- Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-propanoate 17-(3-pyridinecarboxylate)
- Estradiol, 17-nicotinate propionate
- Estradiol, 17-nicotinate 3-propionate
- Nicotinic acid, 17-ester with estradiol 3-propionate
- Estrapronicate
