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
![(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 1R2R3S5S 7 2 5 Hydroxybenzothiophen 3 ylcarboxamido 66 dimethylbicyclo3.1.1hept 3 yl 5Z 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](http://watson-int.com/wp-content/uploads/2015/09/structure-of-1R2R3S5S-7-2-5-Hydroxybenzothiophen-3-ylcarboxamido-66-dimethylbicyclo3.1.1hept-3-yl-5Z-heptenoic-acid-CAS-209268-36-0.png)
structure-of-1R2R3S5S-7-2-5-Hydroxybenzothiophen-3-ylcarboxamido-66-dimethylbicyclo3.1.1hept-3-yl-5Z-heptenoic-acid-CAS-209268-36-0
SMILES
CC1([
[email protected]]
2C[
[email protected]@H]([
[email protected]]([
[email protected]@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.caming.com/), and here is the corresponding link
http://www.caming.com/1r2r3s5s-7-2-5-hydroxybenzothiophen-3-ylcarboxamido-66-dimethylbicyclo3-1-1hept-3-yl-5z-heptenoic-acid-cas-209268-36-0/
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andD purpose. It may be toxic or hazardous, and should be handled only by qualified individuals trained in laboratory procedures. The buyer will be responsible to warn and inform any person that may be in contact with the product of the potential risks and hazards, as well as to ensure that purchase, use and disposal of the product comply with local laws and regulations.