6VW

(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop enta[a]phenanthren-3-one

Created:	2016-07-06
Last modified:	2020-06-05

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1 entries where 6VW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	6
Bond Count	49
Aromatic Bond Count	0

2D diagram of 6VW

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Chemical Component Summary
Name	(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop enta[a]phenanthren-3-one
Synonyms	19-nortestosterone
Systematic Name (OpenEye OEToolkits)	(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-one
Formula	C₁₈ H₂₆ O₂
Molecular Weight	274.398
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O
SMILES	OpenEye OEToolkits	2.0.5	CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34
Canonical SMILES	CACTVS	3.385	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
Canonical SMILES	OpenEye OEToolkits	2.0.5	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34
InChI	InChI	1.03	InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
InChIKey	InChI	1.03	NPAGDVCDWIYMMC-IZPLOLCNSA-N

Drug Info: DrugBank

DrugBank ID	DB13169
Name	Nandrolone
Groups	experimental investigational
Description	Nandrolone, also known as 19-nortestosterone or 19-norandrostenolone, is a synthetic anabolic-androgenic steroid (AAS) derived from testosterone.
Synonyms	Nandrolone 19-norandrostenolone 19-nortestosterone Nandrolonum Nandrolona (17β)-17-hydroxyestr-4-en-3-one
Categories	Alimentary Tract and Metabolism Anabolic Agents Anabolic Agents for Systemic Use Anabolic Steroids Androgens Estranes Estren Derivatives Estrenes Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Nandrolone and esters Ophthalmologicals Sensory Organs Steroids Testosterone Congeners Thyroxine-binding globulin inhibitors
ATC-Code	S01XA11 A14AB01
CAS number	434-22-0

Related Resource References

Resource Name	Reference
Pharos	CHEMBL757
PubChem	9904
ChEMBL	CHEMBL757
ChEBI	CHEBI:7466
CCDC/CSD	LUYHAR, LUYHEV, NOTEST02, HEPDUE, NOTEST01

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.