Estrapronicate

CAS Registry Number®

4140-20-9

CAS Name

Estrapronicate

Molecular Formula

C27H31NO4

Molecular Mass

433.54

Cite this Page

Estrapronicate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4140-20-9 (retrieved 2024-11-22) (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