STREPTOMYCIN SULFATE

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Search structure


Trade Names	STREPTOMYCIN SULFATE
Synonyms	Agri-Strep Agrimycin 17 Agrimycin sulfate Ambistryn s NSC-757316 Streptomycin (as sulfate) Streptomycin sesquisulfate Streptomycin sulfate Streptomycin sulphate Streptomycini sulfas Streptorex Vetstrep
Status
Molecule Category	Salt-form
UNII	CW25IKJ202
EPA CompTox	DTXSID9026053
Parent Compound:	STREPTOMYCIN


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	QTENRWWVYAAPBI-YCRXJPFRSA-N
Smiles	CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChI	InChI=1S/2C21H39N7O12.3H2O4S/c21-5-21(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;31-5(2,3)4/h24-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C42H84N14O36S3
Molecular Weight	1457.4
AlogP	-8.16
Hydrogen Bond Acceptor	15.0
Hydrogen Bond Donor	12.0
Number of Rotational Bond	9.0
Polar Surface Area	336.43
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	40.0

Bioactivity

Mechanism of Action	Action	Reference
Bacterial 70S ribosome inhibitor	INHIBITOR	FDA PubMed

Assay Description	Organism	Bioactivity	Reference
Antibacterial activity against Agrobacterium tumefaciens ATCC 11158 by broth dilution colorimetric assay	Agrobacterium tumefaciens	1.4 ug.mL-1
Antibacterial activity against Bacillus subtilis ATCC 11562 by broth dilution colorimetric assay	Bacillus subtilis	1.4 ug.mL-1
Antibacterial activity against Pseudomonas lachrymans ATCC 11921 by broth dilution colorimetric assay	Pseudomonas amygdali pv. lachrymans	2.3 ug.mL-1
Antibacterial activity against Ralstonia solanacearum ATCC 11696 by broth dilution colorimetric assay	Ralstonia solanacearum K60-1	1.2 ug.mL-1
Antibacterial activity against Staphylococcus haemolyticus ATCC 29970 by broth dilution colorimetric assay	Staphylococcus haemolyticus	1.4 ug.mL-1
Antibacterial activity against Xanthomonas vesicatoria ATCC 11633 by broth dilution colorimetric assay	Xanthomonas euvesicatoria	2.6 ug.mL-1

Cross References

Resources	Reference
ChEBI	32158
ChEMBL	CHEMBL3184791
FDA SRS	CW25IKJ202
PubChem	19648
SureChEMBL	SCHEMBL4960167

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).