structure of (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

(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 & 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

structure of (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

structure of (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

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 sub R&D company Caming Pharmaceutical Ltd, and please click the link below for details.
http://www.caming.com/1r2r3s5s-7-2-5-hydroxybenzothiophen-3-ylcarboxamido-66-dimethylbicyclo3-1-1hept-3-yl-5z-heptenoic-acid-cas-209268-36-0/

This product is sold exclusively through our sales company Watson International Ltd, and please click the link below for details.
http://watson-int.com/1r2r3s5s-7-2-5-hydroxybenzothiophen-3-ylcarboxamido-66-dimethylbicyclo3-1-1hept-3-yl-5z-heptenoic-acid-cas-209268-36-0/