DIHYDROSTREPTOMYCIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: S01AA15
UNII: P2I6R8W6UA

Structure
InChI Key ASXBYYWOLISCLQ-HZYVHMACSA-N
Smile CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O
InChI
InChI=1S/C21H41N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H41N7O12
Molecular Weight 583.6
AlogP -7.95
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 15.0
Number of Rotational Bond 9.0
Polar Surface Area 334.59
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 40.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 38291
ChEMBL CHEMBL1950576
DrugBank DB11512
EPA CompTox DTXSID0022937
FDA SRS P2I6R8W6UA
KEGG C01023
PDB 71R
PubChem 439369
SureChEMBL SCHEMBL139048
ZINC ZINC000008216695
CONTENTS