(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis(1,3)dioxolo(4,5-b:4',5'-d)pyran-3a-yl)methyl sulfamate
Basic information
- CAS
1217455-55-4- Standard SMILES
CC1(C)OC2COC3(COS(N)(=O)=O)OC(C)(C)OC3C2O1- InChIKey
KJADKKWYZYXHBB-UHFFFAOYSA-N- Molecular formula
- C12H21NO8S
- Average molar mass
- 339.36 g/mol
- Monoisotopic mass
- 339.0987878
Names & identifiers
- Preferred name
- (2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis(1,3)dioxolo(4,5-b:4',5'-d)pyran-3a-yl)methyl sulfamate
- IUPAC
- (4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methyl sulfamate
- English name
- Topiramate-13C6
- Molecular formula
- C12H21NO8S
- Molecular weight
- 345.32
Names & synonyms
DTXSID90861147(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis(1,3)dioxolo(4,5-b:4',5'-d)pyran-3a-yl)methyl sulfamate(2,2,7,7-Tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl)methyl sulfamateRefChem:1049570DTXCID10208919Topiramate-13C6s1438(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methyl sulfamate1217455-55-4{4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0,2,6]dodecan-6-yl}methyl sulfamate1192352-58-1topiramate rac
Show more names
Topiramate-13C6 (Standard)[(3aR,5aR,8aR,8bS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a:5',3'-d]pyran-3a-yl]methyl sulfamate
SCHEMBL4980190KJADKKWYZYXHBB-UHFFFAOYSA-NHMS5079C06EBC-13063STL386604AKOS025250533EN300-16953012,3:4,5-Di-O-isopropylidene-b-D-fructopyranose sulfamate
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 556
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 121 · 121 - 124°C
- Density
- 1.337 · 1.337±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Beige
- InChI
- 1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1/i5+1,6+1,7+1,8+1,9+1,12+1
- InChIKey
- KJADKKWYZYXHBB-OYKWVVKKSA-N
- SMILES
- CC1(C)O[13C@@H]2[13CH2]O[13C@@]3([13CH2]OS(N)(=O)=O)OC(C)(C)O[13C@H]3[13C@@H]2O1
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- WGK 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H335-H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesTopiramate-13C6 is the labeled compound of Topiramate (T540250). Topiramate is used as an anticonvulsant.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…