Basic information
- CAS
122028-36-8- Standard SMILES
CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl- InChIKey
OSRUSFPMRGDLAG-CIRBGYJCSA-N- Molecular formula
- C10H17ClN2O4S3
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 360.0038982
Names & identifiers
- Preferred name
- (4R,6R)-4-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide monohydrochloride
- IUPAC
- (4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
- English name
- Dorzolamide EP Impurity A HCl
- Molecular formula
- C10H16N2O4S3.ClH
- Molecular weight
- 360.9
Names & synonyms
122028-36-8(4R,6R)-4-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide monohydrochloride(4R,6R)-4-(Ethylamino)-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide monohydrochlorideRefChem:403343998-838-3ent-Dorzolamide hydrochloride120279-36-9(4R,6R)-4-(Ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloriderac-trans Dorzolamide HClDorzolamide EP Impurity A HClorzolamidehydrochloride(4R,6R)-Dorzolamide (hydrochloride)
Show more names
Dorzolamide Hydrochloride impurity ADozolamine EP Impurity A(hydrochloride)Dorzolamide Impurity 1(Dorzolamide EP Impurity A)Dorzolamide EP Impurity A HCl (Dorzolamide USP Related Compound A HCl)Dorzolamide EP Impurity A HCl (Dorzolamide USP Related Compound A, ent-Dorzolamide HCl)
Database identifiers
- CAS
122028-36-8- PubChem CID
- 60801
- EC Number
- 998-838-3
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Melting point
- 152 °C · >152°C (dec.)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m1./s1
- InChIKey
- OSRUSFPMRGDLAG-CIRBGYJCSA-N
- SMILES
- CCN[C@@H](C1=C2SC(S(N)(=O)=O)=C1)C[C@@H](C)S2(=O)=O.Cl
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- WGK Germany
- 3 · WGK 3
- HS Code
- 2935909550 · 2935909550
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2935909550
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Applications
UsesHydrochloride salt of ent-Dorzolamide (D535125), an enantiomer of Dorzolamide (D535100), an carbonic anhydrase inhibitor and antiglaucoma agent.
Suppliers24 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
惠州拓康生物科技有限公司+86 (0752) 222-7171, +86 15815821171
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
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Compound notes
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