![Chemical structure of 3-methyl-3-nitroso-1-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea, CAS 66395-18-4](https://api.angenesci.com/structure/3120/66395-18-4.png)
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| CAS Number | 66395-18-4 |
| Catalog Number | AG00FNES(AGN-PC-0TKLEB) |
| Chemical Name | 3-methyl-3-nitroso-1-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea |
| EC Number | 242-646-8 |
| IUPAC Name | 1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea |
| InChI | InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1 |
| InChI Key | ZSJLQEPLLKMAKR-GKHCUFPYSA-N |
| MDL Number | MFCD00006607 |
| Molecular Formula | C8H15N3O7 |
| Molecular Weight | 265.2206 |
| NSC Number | 757321 |
| SMILES | CN(C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)=O)N=O |
| UN Number | 3077 |
| UNII | 8H27GUR065 |
| Synonyms | 2-Deoxy-2-((methylnitrosoamino)carbonyl)amino-D-glucose,
Streptozocin,
Streptozotocin,
Streptozotocine,
Zanosar,
streptozocin,
STREPTOZOTOCIN,
Zanosar,
18883-66-4,
streptozosin,
Streptozocine,
Streptozocinum,
Estreptozocina,
Streptozocinium,
streptozotocin (stz),
CHEBI:9288,
N-D-Glucosyl-(2)-N'-nitrosomethylharnstoff,
Streptozoticin,
UNII-8H27GUR065,
8H27GUR065,
MFCD00006607,
DSSTox_CID_1282,
DSSTox_RID_76055,
DSSTox_GSID_21282,
2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose,
STZ,
alkylating agent,
66395-18-4,
binds to DNA,
1-methyl-1-nitroso-3-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)urea,
Zanosar (TN),
SR-05000001720,
2-Desoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose,
alpha-Streptozocin,
NCGC00016738-01,
CAS-18883-66-4,
Spectrum_000960,
Streptozotocin - Zanosar,
Prestwick3_000732,
Spectrum2_000062,
Spectrum3_001087,
Spectrum4_001244,
Spectrum5_001047,
Epitope ID:134282,
N-(Methylnitrosocarbamoyl)-alpha-D-glucosamine,
AC1L1H7V,
SCHEMBL4748,
CHEMBL1603,
BSPBio_000684,
BSPBio_002734,
KBioGR_001768,
KBioSS_001440,
MLS004774123,
DivK1c_000531,
SPECTRUM1500543,
SPBio_000243,
BPBio1_000754,
Streptozocin (JAN/USAN/INN),
DTXSID2021282,
BCBcMAP01_000142,
HMS501K13,
KBio1_000531,
KBio2_001440,
KBio2_004008,
KBio2_006576,
KBio3_001954,
BIS4356,
NINDS_000531,
ZX-AFC000345,
HMS1921A07,
HMS2092I09,
HMS2097C06,
HMS3714C06,
Pharmakon1600-01500543,
2-Deoxy-2[[(methylnitrosoamino)-carbonyl]amino]-D-glucopyranose,
ACT03364,
ZINC3977737,
Streptozocin, >=98.0% (HPLC),
Tox21_110585,
Tox21_201859,
Tox21_302974,
2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-D-glucopyranose,
CCG-39870,
NSC757321,
s1312,
AKOS025310730,
Tox21_110585_1,
API0015373,
DB00428,
NSC-757321,
1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,
IDI1_000531,
SMP1_000282,
NCGC00178500-01,
NCGC00178500-02,
NCGC00178500-03,
NCGC00178500-04,
NCGC00178500-07,
NCGC00256594-01,
NCGC00259408-01,
1-Methyl-1-nitroso-3-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-3-yl)urea,
CC-34553,
SMR001233317,
SBI-0051517.P003,
AB2000735,
AB00513906,
SW199198-2,
C07313,
D05932,
24975-EP2275420A1,
24975-EP2277858A1,
24975-EP2292227A2,
24975-EP2295053A1,
24975-EP2298767A1,
24975-EP2314574A1,
27771-EP2272827A1,
27771-EP2295055A2,
27771-EP2295416A2,
27771-EP2295426A1,
27771-EP2295427A1,
27771-EP2298748A2,
27771-EP2298764A1,
27771-EP2298765A1,
27771-EP2298778A1,
27771-EP2305642A2,
27771-EP2308833A2,
27771-EP2308861A1,
27771-EP2311453A1,
27771-EP2311842A2,
27771-EP2314587A1,
27773-EP2277858A1,
27773-EP2292227A2,
27773-EP2298767A1,
27773-EP2314587A1,
AB00052092-03,
AB00052092_04,
AB00052092_05,
883S664,
C-16594,
SR-01000939745,
SR-01000939745-3,
SR-05000001720-1,
SR-05000001720-2,
W-201687,
Streptozocin, Vetec(TM) reagent grade, 98%, powder,
N-(Methylnitrosocarbamoyl)-|A-D-glucosamine; Streptozotocin,
Streptozocin, >=75% alpha-anomer basis, >=98% (HPLC), powder,
alpha-D-Glucopyranose, 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)-,
3-methyl-3-nitroso-1-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea,
1-methyl-1-nitroso-3-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]urea,
Streptozotocine,
STRZ,
Streptozocinium [Latin],
Streptozocine [INN-French],
Streptozocinum [INN-Latin],
Streptozocin [USAN:INN],
Streptozocin (USAN/INN),
D0I8RR,
RCRA waste number U206,
Streptozocin (streptozotocin),
Streptozotocin (streptozocin),
C8H15N3O7,
CCRIS 562,
Estreptozocina [INN-Spanish],
UNII-5W494URQ81,
N-D-Glucosyl-(2)-N'-nitrosomethylurea,
NSC-85998,
HSDB 5119,
NRRL 2697,
Streptozocin, 99% - 1G 1g,
NCI-C03167,
CID29327,
NSC37917,
NSC85998,
EINECS 242-646-8,
C8-H15-N3-O7,
NSC 37917,
NSC 85998,
NSC-85598,
ZINC03995968,
Streptozocin, Zanosar, STZ,Streptozotocin,
U 9889,
AI3-50821,
2-Deoxy-2-(((methylnitrosoamino)carbonyl)amino)-D-glucopyranose,
A10868,
U-9889,
D013311,
D-Glucose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-,
D-Glucose, 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)-,
N-D-Glucosyl-(2)-N'-nitrosomethylharnstoff [German],
2-Deoxy-2-((methylnitrosoamino)carbonyl)amino-D-glucose,
2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-D-glucose,
Glucopyranose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-, D-,
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-,
D-Glucose, 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)-(9CI),
2-deoxy-2-({[methyl(nitroso)amino]carbonyl}amino)-alpha-D-glucopyranose,
2-Deoxy-2-(3-methyl-3-nitrosoureido)-alpha(and beta)-D-glucopyranose,
D-GLUCOSE, 2-DEOXY-2-[[(METHYLNITROSOAMINO)-CARBONYL]AMINO]-,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.222g/mol |
| Monoisotopic Mass | 265.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 152A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
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