Basic information
- CAS
1084-65-7- Standard SMILES
Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2- InChIKey
FNQQBFNIYODEMB-UHFFFAOYSA-N- Molecular formula
- C10H13NO4S2
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.02860024
Overview
Meticrane is a thiochromane.
Names & identifiers
- Preferred name
- Meticrane
- IUPAC
- 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
- English name
- Meticrane
- Molecular formula
- C10H13NO4S2
- Molecular weight
- 275.34
Names & synonyms
meticrane1084-65-7ArrestenFontilizMeticrano6-Methylthiochroman-7-sulfonamide 1,1-dioxideMeticranum [INN-Latin]MeticranumMeticrano [INN-Spanish]SD 17102Meticrane [INN:DCF:JAN]6-methylthiochromane-7-sulfonamide 1,1-dioxide
Show more names
COL4A1meticranSD-171-02Collagen α-1(IV) chainMeticrane, 10 mM in DMSO
DTXSID9045346EINECS 214-112-4Arresten (TN)NSC-759309E-103-EI7EKN1924Q2H-1-Benzothiopyran-7-sulfonamide, 3,4-dihydro-6-methyl-, 1,1-dioxideMETICRANE [INN]
Database identifiers
- CAS
1084-65-7- PubChem CID
- 4165
- DTXSID
DTXSID9045346- ChEMBL
CHEMBL1318341- ChEBI
CHEBI:31839- UNII
- I7EKN1924Q
- EC Number
- 214-112-4
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 485
Experimental & physicochemical properties
Collision Cross Section
159.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
153.26 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 236 · 236-237°
- Boiling point
- 549.1 · 549.1±60.0 °C(Predicted)
- Density
- 1.4366 · 1.4366 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- 12.45 mg/mL · ≥ 12.45mg/mL in DMSO
- form
- Solid
- pka
- 9.71 · 9.71±0.20(Predicted)
- color
- White to off-white
- FDA UNII
- 7 EKN1924Q · I7EKN1924Q
- ATC code
- 3 BA09 · C03BA09
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 2
- rtecs
- XK6360000
- Toxicity
- mouse,LD50,intraperitoneal,10gm/kg (10000mg/kg),Oyo Yakuri. Pharmacometrics. Vol. 8, Pg. 217, 1974.
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Applications
Usesdiuretic, antihypertensive
Upstream & downstream products
Upstream raw materials
Suppliers41 total
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
澳培赛生物科技(上海)有限公司13311620378 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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