(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid
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![(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220805/44f42b1bfb7c432fa00fd47546fd8a83.png "(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid")
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid
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CAS No:
3473-52-7
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Formula:
C29H42N2O4S2
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Chemical Name:
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid
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Synonyms:
MLS002707305;3473-52-7;SMR001574697;NSC123477;CHEMBL1898779;DTXSID40956214;NSC-123477;4-Methylbenzene-1-sulfonic acid--20-oxopregn-5-en-3-yl carbamimidothioate (1/1)
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CAS No:
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid Basic Attributes
546.8 g/mol
546.25860017 g/mol
123477
Computed Properties
Molecular Weight:546.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:546.25860017
Monoisotopic Mass:546.25860017
Topological Polar Surface Area:155
Heavy Atom Count:37
Complexity:865
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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