Cas no 73105-03-0 (Urea,N-(2-chloroethyl)-N'-(2,2-dimethylpropyl)-N-nitroso-)
73105-03-0 structure
Product Name:Urea,N-(2-chloroethyl)-N'-(2,2-dimethylpropyl)-N-nitroso-
CAS No:73105-03-0
MF:C8H16ClN3O2
MW:221.684540748596
CID:566283
PubChem ID:3037028
Update Time:2025-04-19
Urea,N-(2-chloroethyl)-N'-(2,2-dimethylpropyl)-N-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-(2-chloroethyl)-N'-(2,2-dimethylpropyl)-N-nitroso-
- 1-(2-chloroethyl)-3-(2,2-dimethylpropyl)-1-nitrosourea
- NCNU
- Neptamustine
- Neptamustine (INN)
- Neptamustinum
- Pentamustine
- Pentamustine (USAN)
- Pentamustine [USAN]
- Salisburystin (TN)
- UNII-VB67O9FBGM
- D05417
- CHEMBL462222
- neopentylchloroethylnitrosourea
- UOAFGUOASVSLPK-UHFFFAOYSA-N
- N-(2-CHLOROETHYL)-N'-(2,2-DIMETHYLPROPYL)-N-NITROSOUREA
- Neptamustine [INN]
- Urea, N-(2-chloroethyl)-N'-(2,2-dimethylpropyl)-N-nitroso-
- DTXSID70223380
- 1-(2-Chloroethyl)-3-neopentyl-1-nitrosourea
- VB67O9FBGM
- 1-(2-Chlorethyl)-3-neopentyl-1-nitrosourea
- Salisburystin
- 73105-03-0
- SCHEMBL11151237
- 1-Neopentyl-3-(2-Chloroethyl)-3-Nitrosourea
- Q27291742
- NCNU; Neptamustine
- NS00125733
-
- Inchi： 1S/C8H16ClN3O2/c1-8(2,3)6-10-7(13)12(11-14)5-4-9/h4-6H2,1-3H3,(H,10,13)
- InChI Key： UOAFGUOASVSLPK-UHFFFAOYSA-N
- SMILES： ClCCN(C(NCC(C)(C)C)=O)N=O
Computed Properties
- Exact Mass: 221.0931045g/mol
- Monoisotopic Mass: 221.0931045g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 203
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 61.8?2
Urea,N-(2-chloroethyl)-N'-(2,2-dimethylpropyl)-N-nitroso- Related Literature
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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