Cas no 54025-36-4 (Estr-4-en-3-one,17-[[[(2-chloroethyl)nitrosoamino]carbonyl]oxy]-, (17b)- (9CI))
![Estr-4-en-3-one,17-[[[(2-chloroethyl)nitrosoamino]carbonyl]oxy]-, (17b)- (9CI) structure](https://ossimg.kuujia.com/scimg/54500/54025-36-4x500.png)
54025-36-4 structure
Product Name:Estr-4-en-3-one,17-[[[(2-chloroethyl)nitrosoamino]carbonyl]oxy]-, (17b)- (9CI)
CAS No:54025-36-4
MF:C21H29ClN2O4
MW:408.918965101242
CID:368761
PubChem ID:40974
Update Time:2025-04-19
Estr-4-en-3-one,17-[[[(2-chloroethyl)nitrosoamino]carbonyl]oxy]-, (17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Estr-4-en-3-one,17-[[[(2-chloroethyl)nitrosoamino]carbonyl]oxy]-, (17b)- (9CI)
- 19-nortestosterone nitrosocarbamate
- Estr-4-en-3-one, 17-[[[(2-chloroethyl)nitrosoamino]carbonyl]oxy]-, (17.β.)-
- 19-Nortestosterone-17/N-(2-chloroethyl)-N-nitrosocarbamate
- (17-beta)-17-((((2-Chloroethyl)nitrosoamino)carbonyl)oxy)estr-4-en-3-one
- LS-1727
- LS 1727
- [(17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate
- NSC 269719
- DTXSID20968855
- ESTR-4-EN-3-ONE, 17-((((2-CHLOROETHYL)NITROSOAMINO)CARBONYL)OXY)-, (17-beta)-
- 54025-36-4
- LEO 1727
-
- Inchi： 1S/C21H29ClN2O4/c1-21-9-8-16-15-5-3-14(25)12-13(15)2-4-17(16)18(21)6-7-19(21)28-20(26)24(23-27)11-10-22/h12,15-19H,2-11H2,1H3/t15?,16?,17?,18?,19-,21?/m0/s1
- InChI Key： KTQUNVRSLAGBSY-WLGSGIEKSA-N
- SMILES： ClCCN(C(=O)O[C@H]1CCC2C3CCC4=CC(CCC4C3CCC21C)=O)N=O
Computed Properties
- Exact Mass: 408.18177
- Monoisotopic Mass: 408.1815851g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 696
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 76?2
Experimental Properties
- Density: 1.1415 (rough estimate)
- Refractive Index: 1.6800 (estimate)
- PSA: 76.04
- LogP: 4.85560
Estr-4-en-3-one,17-[[[(2-chloroethyl)nitrosoamino]carbonyl]oxy]-, (17b)- (9CI) Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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