N-[(E)-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]pyridine-4-carboxamide
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![N-[(E)-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]pyridine-4-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0cc82608864c4364ba79cd4556cd482d.png "N-[(E)-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]pyridine-4-carboxamide")
N-[(E)-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]pyridine-4-carboxamide
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CAS No:
17129-51-0
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Formula:
C33H49N3O
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Chemical Name:
N-[(E)-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]pyridine-4-carboxamide
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Synonyms:
Isonicotinic acid,cholest-4-en-3-ylidenehydrazide; 3-Cholestenone isonicotinoyl hydrazone; INH cholest deriv.; cholest-4-en-3-one-isonicotinoylhydrazone; Cholest-4-en-3-on-isonicotinoylhydrazon;
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CAS No:
N-[(E)-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]pyridine-4-carboxamide Basic Attributes
503.76200
503.38756320
Computed Properties
Molecular Weight:503.8
XLogP3:8.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:503.38756320
Monoisotopic Mass:503.38756320
Topological Polar Surface Area:54.4
Heavy Atom Count:37
Complexity:886
Defined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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