(1R,2R,3S,5S)-7-[2-(5-Hydroxybenzothiophen-3-ylcarboxamido)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-5(Z)-heptenoic acid CAS 209268-36-0

Iden­ti­fi­ca­tion Prop­er­ties Safe­ty Data Spec­i­fi­ca­tions and Oth­er Information Links

Iden­ti­fi­ca­tion

CAS Number

209268-36-0

Name

(1R,2R,3S,5S)-7-[2-(5-Hydroxybenzothiophen-3-ylcarboxamido)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-5(Z)-heptenoic acid

Syn­onyms

(5Z)-7-[(1R,2R,3S,5S)-2-{[(5-Hydroxy-1-benzothiophen-3-yl)carbonyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-5-heptenoic acid [ACD/IUPAC Name] (5Z)-7-[(1R,2R,3S,5S)-2-{[(5-Hydroxy-1-benzothiophen-3-yl)carbonyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-5-heptensäure [Ger­man] [ACD/IUPAC Name] (5Z)-7-[(1R,2R,3S,5S)-2-{[(5-hydroxy-1-benzothiophen-3-yl)carbonyl]amino}-6,6-dimethylbicyclo[3.1.1]hept-3-yl]hept-5-enoic acid 5-Hep­­tenoic acid, 7-[(1R,2R,3S,5S)-2-[[(5-hydroxybenzo[b]thien-3-yl)carbonyl]amino]-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-, (5Z)- [ACD/​Index Name] Acide (5Z)-7-[(1R,2R,3S,5S)-2-{[(5-hydroxy-1-benzothiophén-3-yl)carbonyl]amino}-6,6-diméthylbicyclo[3.1.1]hept-3-yl]-5-hepténoïque [French] [ACD/IUPAC Name] (Z)-7-((1R,2R,3S,5S)-2-(5-hydroxybenzo[b]thiophene-3-carboxamido)-6,6-dimethylbicyclo[3.1.1]heptan-3-yl)hept-5-enoic acid (Z)-7-[(1R,2R,3S,5S)-2-[(5-hydroxy-1-benzothiophen-3-yl)carbonylamino]-7,7-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid (Z)-7-[(1R,2R,3S,5S)-2-[(5-hydroxy1-benzothiophene-3-carbonyl)amino]-7,7-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid (Z)-7-[(1R,2R,3S,5S)-2-[(5-hydroxybenzothiophene-3-carbonyl)amino]-6,6-dimethyl-norpinan-3-yl]hept-5-enoic acid (Z)-7-[(1R,2R,3S,5S)-2-[[(5-hydroxy-3-benzothiophenyl)-oxomethyl]amino]-6,6-dimethyl-3-norpinanyl]hept-5-enoic acid (Z)-7-{(1R,2R,3S,5S)-2-[(5-Hydroxy-benzo[b]thiophene-3-carbonyl)-amino]-6,6-dimethyl-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid 209268-36-0 [RN] S 5751 UNII-GA0E7U1R52

Mol­e­c­u­lar Structure

SMILES

CC1([C@H]2C[C@@H]([C@H]([C@@H]1C2)NC(=O)C3=CSC4=C3C=C(C=C4)O)C/C=C\CCCC(=O)O)C

Std­InChI

InChI=1S/C25H31NO4S/c1-25(2)16-11-15(7-5-3-4-6-8-22(28)29)23(20(25)12-16)26-24(30)19-14-31-21-10-9-17(27)13-18(19)21/h3,5,9-10,13-16,20,23,27H,4,6-8,11-12H2,1-2H3,(H,26,30)(H,28,29)/b5-3-/t15-,16-,20-,23+/m0/s1

Std­InChIKey

ZXB­H­FWFK­SIY­­JEK-MFJOX­­FOR­SA-N

Mol­e­c­u­lar Formula

C25H31NO4S

Mol­e­c­u­lar Weight

441.58

Prop­er­ties

Appear­ance

White or off white pow­der

Melt­ing Point

141-144℃

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our (1R,2R,3S,5S)-7-[2-(5-Hydroxybenzothiophen-3-ylcarboxamido)-6,6-dimethylbicyclo[3.1.1]hept-3-yl]-5(Z)-heptenoic acid CAS 209268-36-0

Stan­dard

Enter­prise stan­dard

Iden­ti­fi­ca­tion Methods

HNMR/IR

Puri­ty

98%min

Spe­cif­ic Opti­cal Rotation

+45°-+50°

Stor­age

Under the room tem­per­a­ture and away from light

Appli­ca­tion

Used as the phar­ma­ceu­ti­cal inter­me­di­ates of S-5751,for the treat­ment of asth­ma

Links

This prod­uct is devel­oped by our RandD com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd(http://​www​.cam​ing​.com/), and here is the cor­re­spond­ing linkhttp://​www​.cam​ing​.com/​1​r​2​r​3​s​5​s​-​7​-​2​-​5​-​h​y​d​r​o​x​y​b​e​n​z​o​t​h​i​o​p​h​e​n​-​3​-​y​l​c​a​r​b​o​x​a​m​i​d​o​-​6​6​-​d​i​m​e​t​h​y​l​b​i​c​y​c​l​o​3​-​1​-​1​h​e​p​t​-​3​-​y​l​-​5​z​-​h​e​p​t​e​n​o​i​c​-​a​c​i​d​-​c​a​s​-​2​0​9​2​6​8​-​3​6​-0/

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