120279-90-5 ((4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide,(4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide)

CAS号:
120279-90-5
中文名称:
(4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
英文名称:
(4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
分子式:
C10H16N2O4S3
分子量:
324.44003868103

(4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide(120279-90-5)名称与标识符

名称

英文别名:
(4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;DORZOLAMIDE BASE;149249-72-9;DORZOLAMIDE, (CIS)-(+/-)-;(+/-)-(cis)-dorzolamide;Dorzolamide, (+/-)-(cis)-;PD062929;A4JPI6XU9A;Q27273624;(4RS,6SR)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide;120279-90-5;DTXSID10152786;Dorzolamide hydrochloride impurity B [EP];DORZOLAMIDE HYDROCHLORIDE IMPURITY B [EP IMPURITY];(4R)-Dorzolamide;(+/-)-(Cis)-4R,6R-dorzolamide;BDBM50041042;BRD-K71075609-003-01-0;CAS-130693-82-2;(4R,6S)-4-Ethylamino-6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide;NCGC00016977-01;112-153-1;(4R)-Dorzolamide; 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4R,6S)-; 4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4R-cis)- (9CI);(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide;CHEMBL276679;Dorzolamide impurity B;4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, cis-;UNII-A4JPI6XU9A;(4R,6S)-4-(Ethylamino)-6-methyl-5,6-dihydro-4H-thieno(2,3-b)thiopyran-2-sulfonamide 7,7-dioxide;4H-Thieno(2,3-b)thiopyran-2-sulfonamide, 4-(ethylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4R,6S)-rel-;SCHEMBL4525137;

标识符

InChIKey:
IAVUPMFITXYVAF-POYBYMJQSA-N
Inchi:
1S/C10H16N2O4S3/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)/t6-,8+/m0/s1
SMILES:
S1(C2=C(C=C(S(N)(=O)=O)S2)[C@@H](C[C@@H]1C)NCC)(=O)=O

(4R,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide(120279-90-5)物化性质

计算特性

  • 精确分子量 : 324.02722052Da
  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 3
  • 同位素质量 : 324.02722052Da
  • 重原子数量 : 19
  • 复杂度 : 534
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.4
  • 拓扑分子极性表面积 : 151Ų