 Home > Encyclopedia > [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-[3,6-bis(dimethylamino)acridin-9-yl]sulfanylacetate

[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-[3,6-bis(dimethylamino)acridin-9-yl]sulfanylacetate

[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-[3,6-bis(dimethylamino)acridin-9-yl]sulfanylacetate structure

CAS No:
83759-46-0
Formula:
C40H45N3O6S
Chemical Name:
[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-[3,6-bis(dimethylamino)acridin-9-yl]sulfanylacetate
Synonyms:
PREDORINE;NSC337851;83759-46-0;CHEMBL1995795;DTXSID20318876;ZINC82190468;NSC-337851;NCI60_002975;Pregna-1,11,20-trione, 21-[[[[3,6-bis(dimethylamino)-9-acridinyl]thio]acetyl]oxy]-17-hydroxy-

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[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-[3,6-bis(dimethylamino)acridin-9-yl]sulfanylacetate Basic Attributes

Molecular Weight：

695.9 g/mol

Exact Mass：

695.30290734 g/mol

NSC Number：

337851

DSSTox ID：

DTXSID20318876

Characteristics

PSA：

142 Å²

Computed Properties

Molecular Weight:695.9
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:695.30290734
Monoisotopic Mass:695.30290734
Topological Polar Surface Area:142
Heavy Atom Count:50
Complexity:1430
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-[3,6-bis(dimethylamino)acridin-9-yl]sulfanylacetate

Basic Attributes
Characteristics
Computed Properties
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