azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate

C31H50Cl2N2O9Pt — CID 24759787

IUPACazane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.Cl[Pt+2]Cl.N.NC1CCCCC1
InChIInChI=1S/C21H28O5.C6H13N.2C2H4O2.2ClH.H3N.Pt/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3;6H,1-5,7H2;2*1H3,(H,3,4);2*1H;1H3;/q;;;;;;;+4/p-4/t14-,15-,16-,18+,19-,20-,21-;;;;;;;/m0......./s1
InChIKeyAVRYBDTUFUKMNU-KFSVWHIYSA-J
MW860.73 g/mol
LogP1.89
Rot. Bonds2

About azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate

azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate (PubChem CID 24759787) has the molecular formula C31H50Cl2N2O9Pt and a molecular weight of 860.73 g/mol. Its IUPAC name is azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate.

Molecular Properties

Compound Nameazane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate
PubChem CID24759787
Molecular FormulaC31H50Cl2N2O9Pt
Molecular Weight860.73 g/mol
Exact Mass859.25
IUPAC Nameazane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.Cl[Pt+2]Cl.N.NC1CCCCC1
InChIInChI=1S/C21H28O5.C6H13N.2C2H4O2.2ClH.H3N.Pt/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3;6H,1-5,7H2;2*1H3,(H,3,4);2*1H;1H3;/q;;;;;;;+4/p-4/t14-,15-,16-,18+,19-,20-,21-;;;;;;;/m0......./s1
InChIKeyAVRYBDTUFUKMNU-KFSVWHIYSA-J
XLogP1.89
TPSA236.11 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.73
LogP ≤ 51.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;methylcyclohexane
CID 145129301
(8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CID 57358722
acetic acid;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CID 66579016
potassium;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;hydride
CID 175553259
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;propanoic acid
CID 175062640
butanedioic acid;bis((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one)
CID 66604313
17-(2-aminoacetyl)-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;hydrochloride
CID 53395215
[2-[(8R,9S,10S,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
CID 51398077
[2-[(8S,9S,10R,13S,14S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
CID 51358329
[2-[(8R,9R,10S,11S,13S,14R,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
CID 11865456
[2-[(8S,9R,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
CID 129009900
(9S,10R,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,11,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CID 157026656

Frequently Asked Questions

What is the IUPAC name of azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate?
The IUPAC name of azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate (CID 24759787) is azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate.
What is the SMILES notation for azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate?
The canonical SMILES for azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate is CC(=O)[O-].CC(=O)[O-].C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.Cl[Pt+2]Cl.N.NC1CCCCC1.
What is the InChIKey of azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate?
The InChIKey is AVRYBDTUFUKMNU-KFSVWHIYSA-J. The full InChI is InChI=1S/C21H28O5.C6H13N.2C2H4O2.2ClH.H3N.Pt/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;7-6-4-2-1-3-5-6;2*1-2(3)4;;;;/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3;6H,1-5,7H2;2*1H3,(H,3,4);2*1H;1H3;/q;;;;;;;+4/p-4/t14-,15-,16-,18+,19-,20-,21-;;;;;;;/m0......./s1.
What are the key properties of azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate?
azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate has a molecular weight of 860.73 g/mol, XLogP of 1.89, 2 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclohexanamine;dichloroplatinum(2+);(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;diacetate is sourced from PubChem (CID 24759787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).