3-Oxo-4-aza-5α-androstane-17β-carboxylic acid
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3-Oxo-4-aza-5α-androstane-17β-carboxylic acid
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CAS No:
103335-55-3
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Formula:
C19H29NO3
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Chemical Name:
3-Oxo-4-aza-5α-androstane-17β-carboxylic acid
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Synonyms:
1H-Indeno[5,4-f]quinoline-7-carboxylic acid,hexadecahydro-4a,6a-dimethyl-2-oxo-,(4aR,4bS,6aS,7S,9aS,9bS,11aR)-;4-Azaandrostane-17-carboxylic acid,3-oxo-,(5α,17β)-;(4aR,4bS,6aS,7S,9aS,9bS,11aR)-Hexadecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acid;1H-Indeno[5,4-f]quinoline-7-carboxylic acid,hexadecahydro-4a,6a-dimethyl-2-oxo-,[4aR-(4aα,4bβ,6aα,7α,9aβ,9bα,11aβ)]-;4-Aza-3-oxo-5α-androstane-17β-carboxylic acid;3-Oxo-4-aza-5α-androstan-17β-carboxylic acid;3-Oxo-4-aza-5α-androstane-17β-carboxylic acid;4-Aza-3-oxo-androstane-17β-carboxylic acid;3-Oxo-4-aza-5α-androstane-17-carboxylic acid;(5α,17β)-3-Oxo-4-aza-5α-androstane-17-carboxylic acid;(5α,17β)-3-Oxo-4-azaandrostane-17-carboxylic acid
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CAS No:
3-Oxo-4-aza-5α-androstane-17β-carboxylic acid Basic Attributes
319.4
319.21474379
407-820-1|600-424-1|926-719-8
DTXSID00431299
2937290090
Safety Information
|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P281, P308+P313, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P273, P281, P301+P312, P308+P313, P314, P330, P405, and P501|Aggregated GHS information provided by 5 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P264, P270, P281, P301+P312, P308+P313, P330, P405, and P501
Computed Properties
Molecular Weight:319.4
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:319.21474379
Monoisotopic Mass:319.21474379
Topological Polar Surface Area:66.4
Heavy Atom Count:23
Complexity:547
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Oxo-4-aza-5α-androstane-17β-carboxylic acid
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