chempirical

Hydroxyprogesterone caproate

C27H40O4CAS 630-56-8428.61 g/mol

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AlkeneEsterKetone

Properties

Molecular formula
C27H40O4
Molar mass
428.61 g/mol
Exact mass
428.2927 Da
Melting point
119–121 °C
logP
5.97Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
6
Stereocentres
R, S, R, R, S, Sin SMILES atom order

Hazards

Danger
Health Hazard (GHS08)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
630-56-8
SMILES
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey
DOMWKUIIPQCAJU-LJHIYBGHSA-N
InChI
InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1

Weigh it out

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

Names and synonyms

32 names · show all
  • Pregn-4-ene-3,20-dione, 17-[(1-oxohexyl)oxy]-
  • Pregn-4-ene-3,20-dione, 17-hydroxy-, hexanoate
  • Progesterone, 17-hydroxy-, hexanoate
  • Hexanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione
  • 17-[(1-Oxohexyl)oxy]pregn-4-ene-3,20-dione
  • Delalutin
  • 3,20-Dioxopregn-4-en-17α-yl caproate
  • Hormofort
  • HPC
  • 17α-Hydroxypregn-4-ene-3,20-dione caproate
  • 17α-Hydroxypregn-4-ene-3,20-dione hexanoate
  • 17α-Hydroxyprogesterone n-caproate
  • 17α-Hydroxyprogesterone caproate
  • 17α-Hydroxyprogesterone hexanoate
  • Proluton depot
  • Syngynon
  • Hydroxyprogesterone hexanoate
  • Progesterone caproate
  • Depo-proluton
  • 17α-Caproyloxypregn-4-ene-3,20-dione
  • Primolut depot
  • Neolutin
  • Pharlon
  • Proge
  • Hyproval PA
  • Lewntogest
  • Teralutil
  • NSC 17592
  • Procyte depo
  • 17α-Caproyloxyprogesterone
  • 17α-Caproyloxy-P4
  • 17-Caproxyprogesterone

Work with Hydroxyprogesterone caproate

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

17-Acetoxyisopregn-4-ene-3,20-dione17308-02-073 % similar Progesterone acetate302-23-873 % similar 21-Hydroxy-17-(1-oxopropoxy)pregn-4-ene-3,20-dione19608-29-862 % similar Testosterone enanthate315-37-759 % similar Testosterone decanoate5721-91-559 % similar Testosterone undecylate5949-44-059 % similar 17β-Hydroxyprogesterone604-09-159 % similar 17α-Hydroxyprogesterone68-96-259 % similar

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

Same formula

Neoruscogenin17676-33-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook