Conjugated estrogens

C₁₈H₂₁NaO₅SCAS 12126-59-9372.41 g/mol

Open in Covalent MOL file

Ketone

Properties

Molecular formula: C₁₈H₂₁NaO₅S
Molar mass: 372.41 g/mol
Exact mass: 372.1007 Da
logP: -0.05Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

12126-59-9

SMILES

C[C@]12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]

InChIKey

VUCAHVBMSFIGAI-TWCWWGPMSA-M

InChI

InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14?,15?,16?,18-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

36 names · show all

Estrogens, conjugated
Estrogens, conjugates
Presomen
Conjugates, estrogens
Premarin
Cenestin
Azumon
C.E.S.
Climarest
Conjugen
Dagynil
Emopremarin
Ayerogen crema vaginal
Femavit
Hyphorin
Mannest
Menopak E
Menpoz
neo-Menovar
Equin
Ovest
Premaril
Premarin crema V
Premarin creme
Premarin vaginal creme
Premarina
Premarose
Prevagin-premaril
Romeda
Sefac
Srogen
Sukingpo
Transannon
Oestro-feminal
Ayerogen
Conjugated equine estrogen

Work with Conjugated estrogens

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(+)-Estrone 3-methyl ether1624-62-069 % similar Ogen7280-37-768 % similar Estrone53-16-760 % similar Sodium prasterone sulfate1099-87-246 % similar Estramustine phosphate sodium52205-73-942 % similar Dimenformon dipropionate113-38-241 % similar Estradiol benzoate50-50-040 % similar Estra-1,3,5(10)-triene-3,17β-diol 17-acetate1743-60-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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