Norgestimate

C23H31NO3CAS 35189-28-7369.51 g/mol

Open in Covalent MOL file
OONOH
AlkeneAlkyneEsterOxime

Properties

Molecular formula
C23H31NO3
Molar mass
369.51 g/mol
Exact mass
369.2304 Da
Melting point
216 °C
logP
4.71Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2
Stereocentres
R, S, R, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
35189-28-7
SMILES
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC
InChIKey
KIQQMECNKUGGKA-GOMYTPFNSA-N
InChI
InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/t18-,19+,20+,21-,22-,23-/m0/s1

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Names and synonyms

6 names
  • 18,19-Dinorpregn-4-en-20-yn-3-one, 17-(acetyloxy)-13-ethyl-, 3-oxime, (17α)-
  • Dexnorgestrel acetime
  • ORF 10131
  • RWJ 10131
  • D 138
  • d-(17α)-17-Acetoxy-13-ethyl-18,19-dinorpregn-4-en-20-yn-3-one oxime

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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