Dtxcid9025538
Basic information
- CAS
1428118-46-0- Standard SMILES
CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl- InChIKey
SVSFIELZISOJDT-XRZFDKQNSA-N- Molecular formula
- C18H24ClN9O4S3
- Average molar mass
- 562.1 g/mol
- Monoisotopic mass
- 561.0801915
Names & identifiers
- Preferred name
- Dtxcid9025538
- IUPAC
- (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochloride
Names & synonyms
DTXCID90255381428118-46-0CAS-66309-69-1SR-01000841230Cefotiam monohydrochlorideNCGC00016998-01SCHEMBL65480MLS002153835DTXSID40860766HMS1569B05Tox21_110730AKOS032960346
Show more names
Tox21_110730_1CCG-220482EBC-102037NCGC00179594-03(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrochlorideSMR001233198sodium;(6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidSR-01000841230-3
Database identifiers
- CAS
1428118-46-0、66309-69-1- PubChem CID
- 20848883
- DTXSID
DTXSID40860766
Properties
Computed structural properties
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 847
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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