Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H37N3O3.C7H8O3S |
| Molecular Weight | 647.824 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CN(C)CCN(C)[C@H]2COC3=CC=CC=C3C4=C(C5CCCCC5)C6=C(C=C(C=C6)C(O)=O)N4C2
InChI
InChIKey=XFPXFBQQEOGJKE-VZYDHVRKSA-N
InChI=1S/C29H37N3O3.C7H8O3S/c1-30(2)15-16-31(3)22-18-32-25-17-21(29(33)34)13-14-23(25)27(20-9-5-4-6-10-20)28(32)24-11-7-8-12-26(24)35-19-22;1-6-2-4-7(5-3-6)11(8,9)10/h7-8,11-14,17,20,22H,4-6,9-10,15-16,18-19H2,1-3H3,(H,33,34);2-5H,1H3,(H,8,9,10)/t22-;/m1./s1
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C29H37N3O3 |
| Molecular Weight | 475.6224 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| In vitro efficacy of approved and experimental antivirals against novel genotype 3 hepatitis C virus subgenomic replicons. | 2013-11 |
|
| Discovery of (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl) amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid (MK-3281), a potent and orally bioavailable finger-loop inhibitor of the hepatitis C virus NS5B polymerase. | 2011-01-13 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:28:32 GMT 2025
by
admin
on
Wed Apr 02 19:28:32 GMT 2025
|
| Record UNII |
CYN8S9FMW3
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
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Code | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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171390153
Created by
admin on Wed Apr 02 19:28:32 GMT 2025 , Edited by admin on Wed Apr 02 19:28:32 GMT 2025
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PRIMARY | |||
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1267498-35-0
Created by
admin on Wed Apr 02 19:28:32 GMT 2025 , Edited by admin on Wed Apr 02 19:28:32 GMT 2025
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PRIMARY | |||
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CYN8S9FMW3
Created by
admin on Wed Apr 02 19:28:32 GMT 2025 , Edited by admin on Wed Apr 02 19:28:32 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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