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Streptozotocin
CAS: 18883-66-4 | C8H15N3O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18883-66-4
Molecular Formula:
C8H15N3O7
Molecular Mass:
265.22 g/mol
Names and Synonyms:
Streptozotocin
D-Glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-
Glucopyranose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-, D-
2-Deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-D-glucose
Streptozotocin
Streptozoticin
NSC 85998
Streptozocin
STRZ
STZ
NSC 37917
Zanosar
U 9889
Estreptozocin
Identifiers:
SMILES:
CN(N=O)C(O)=N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI:
InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)/t4-,5+,6+,7+/m0/s1
Key Properties
Melting Point
115 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 265.22 g/mol | CAS Common Chemistry |
| 265.222 g/mol | RDKit | |
| 265.09099982000004 g/mol | RDKit | |
| Canonical SMILES | O=NN(C(=O)NC(C=O)C(O)C(O)C(O)CO)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H15N3O7/c1-11(10-18)8(17)9-4(2-12)6(15)7(16)5(14)3-13/h2,4-7,13-16H,3H2,1H3,(H,9,17)/t4-,5+,6+,7+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AGRCPNMCOXLKFO-BDVNFPICSA-N | CAS Common Chemistry |
| Melting Point | 115 °C | CAS Common Chemistry |
| Name | Streptozotocin | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 163.25 Ų | RDKit |
| LogP | -2.843899999999999 | RDKit |
| Molar Refractivity | 58.580000000000034 | RDKit |
