Mycobacidin
Basic information
- CAS
28223-69-0- Standard SMILES
O=C(O)CCCCCC1NC(=O)CS1- InChIKey
CSOJYIADHHNGRM-UHFFFAOYSA-N- Molecular formula
- C9H15NO3S
- Average molar mass
- 217.29 g/mol
- Monoisotopic mass
- 217.07726451
Overview
structure
Names & identifiers
- Preferred name
- Mycobacidin
- IUPAC
- 6-(4-oxo-1,3-thiazolidin-2-yl)hexanoic acid
- English name
- mycobacidin
- Molecular formula
- C9H15NO3S
- Molecular weight
- 217.29
Names & synonyms
MycobacidinActithiazic acidAcidomycinCinnamonin539-35-54-Oxo-2-thiazolidinehexanoic acid2-Thiazolidinehexanoic acid, 4-oxo-UX05P33K8JMYCOBACIDIN [MI]28223-69-04-oxo-thiazolidinehexanoic acidDTXSID10275924
Show more names
PA-95Thiazolidone antibiotic6-(4-ketothiazolidin-2-yl)hexanoic acid
RefChem:819683DTXCID302272886-(4-oxo-1,3-thiazolidin-2-yl)hexanoic acid6-(4-Oxothiazolidin-2-yl)hexanoic acidUNII-UX05P33K8Jstarbld0000876orb3024173SCHEMBL1021205
Database identifiers
- CAS
28223-69-0、539-35-5- PubChem CID
- 94170
- DTXSID
DTXSID10275924- ChEMBL
CHEMBL4862934- UNII
- UX05P33K8J
- EC Number
- 803-905-6
- Nikkaji
- J6.382G、J88.553C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Melting point
- 139.5 °C · 139.5 °C
- Boiling point
- 495.6 · 495.6±30.0 °C(Predicted)
- Density
- 1.2447 · 1.2447 (rough estimate)
- refractive index
- 1.525 · 1.5250 (estimate)
- pka
- 4.76 · 4.76±0.10(Predicted)
- FDA UNII
- 5 P33K8J · UX05P33K8J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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