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74163-81-8,MFCD00144533
Catalog No.:AA00ICEL
74163-81-8 | 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3S)-
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5g
98%
in stock  
$10.00
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25g
98%
in stock  
$24.00
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100g
97%
in stock  
$80.00
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500g
95%
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$371.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00ICEL
Chemical Name:
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3S)-
CAS Number:
74163-81-8
MDL Number:
MFCD00144533
IUPAC Name:
(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
InChI Key:
BWKMGYQJPOAASG-VIFPVBQESA-N
SMILES:
OC(=O)[C@H]1NCc2c(C1)cccc2
EC Number:
616-058-0
UNII:
737G46U1NP
Properties
Computed Properties
 
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  

Synonyms
 
74163-81-8 
L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid 
737G46U1NP 
(3s)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid 
S-(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid 
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (3S)- 
1,2,3,4-Tetrahydroisoquinoline-3(s)-carboxylic acid 
1,2,3,4-Tetrahydroisoquinoline-3(R)-carboxylic acid 
(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid 
PubChem6296 
AC1MBYEG 
AC1Q71AH 
H-TIC-OH 
KSC489O6L 
SCHEMBL288272 
CHEMBL447576 
(S)-1,2,3,4-Tetrahydro-3-isoquinoline-carboxylic acid 
CTK3I9765 
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, (S)- 
BWKMGYQJPOAASG-VIFPVBQESA-N 
ACT01929 
CS-D1187 
ZINC3881715 
(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid 
ANW-36437 
CT-138 
EBD134387 
AKOS016842273 
AL081-1 
MCULE-3630654232 
RL04806 
RTR-023966 
AJ-46648 
BR-25831 
L-Porretine 
K266 
SC-06593 
TS-02454 
AB0014129 
TR-023966 
AM20060719 
FT-0082951 
FT-0605290 
J1119 
A-2585 
(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 
163T818 
1,2,3,4-Tetrahydro-3S-isoquinoline carboxylic acid 
1,2.3,4-tetrahydro isoquinoline-2-carboxylic acid 
J-650310 
Q-103215 
(S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxyli 
1,2,3,4-tetrahydro-3(s)-isoquinolinecarboxylic acid 
(3s)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid 
Z1696862396 
(S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid 
(S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid 
S-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid 
(S)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, 97% 
C10H11NO2 
NSC14794 
CID2733226 
-Tetrahydro-3-IsoquinolineCarboxylicAcid 
T1515 
1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid 
L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylicacid 
S-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid 
UNII-737G46U1NP 
(L)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid 
(R)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid 
67123-97-1 
(R)-(+)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid 
103733-65-9 
(S)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 98% - 1G 1g 
35186-99-3 
896722-50-2 
TIC 
MFCD00144533 
(S)-(-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic Acid 
Literature

Title: pH-Dependent nanostructure based on isoquinoline-cyclodextrin conjugate for thrombosis therapy.

Journal: Nanomedicine : nanotechnology, biology, and medicine 20121001

Title: A class of novel N-(3S-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-L-amino acid derivatives: their synthesis, anti-thrombotic activity evaluation, and 3D QSAR analysis.

Journal: European journal of medicinal chemistry 20091201

Title: (3S)-N-(L-Aminoacyl)-1,2,3,4-tetrahydroisoquinolines, a class of novel antithrombotic agents: synthesis, bioassay, 3D QSAR, and ADME analysis.

Journal: Bioorganic & medicinal chemistry 20081101

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