Basic information
- CAS
37395-77-0- Standard SMILES
COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1N=Nc1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2O)c2cc(S(=O)(=O)O)ccc12- InChIKey
UCOARYAOMRVCGI-UHFFFAOYSA-N- Molecular formula
- C29H24N4O14S4
- Average molar mass
- 780.8 g/mol
- Monoisotopic mass
- 780.01718615
Names & identifiers
- Preferred name
- 1-Naphthalenesulfonicacid,4-hydroxy-3-[2-[4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-
- IUPAC
- 4-hydroxy-3-[[4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
- English name
- 5-Methoxyisatoic anhydride
- Molecular formula
- C29H24N4O14S4
- Molecular weight
- 780.78
Names & synonyms
1-Naphthalenesulfonicacid,4-hydroxy-3-[2-[4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-4-Hydroxy-3-((4-((2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-7-sulfonaphthalen-1-yl)diazenyl)naphthalene-1-sulfonic acidDTXSID001040499AS-784574-Hydroxy-3-((E)-(4-((E)-(2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-7-sulfonaphthalen-1-yl)diazenyl)naphthalene-1-sulfonic acid4-hydroxy-3-[[4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid5-Methoxyisatoic anhydride6-METHOXY-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE4-Hydroxy-3-[[4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-7-sulfo-1-naphthalenyl]azo]-1-naphthalenesulfonic acid1-Naphthalenesulfonic acid, 4-hydroxy-3-[2-[4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-7-sulfo-1-naphthalenyl]diazenyl]-
Database identifiers
- CAS
37395-77-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 319 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 12
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,700
Physicochemical properties
- Density
- 1.71 · 1.71±0.1 g/cm3(Predicted)
- pka
- -3.85 · -3.85±0.18(Predicted)
- CAS DataBase Reference
- 37395 · 37395-77-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses5-Methoxyisatoic Anhydride is a reagent in the preparation of 18F-labeled radiotracers for GABAA receptor PET imaging.
Suppliers22 total
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
天津安浩生物科技有限公司[email protected]
上海拓目化工有限公司13391076197 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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