loading...| Preferred Name |
paritaprevir |
|
| Synonyms |
(2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide ABT 450 ABT450 Veruprevir |
|
| Definitions |
An azamacrocycle which is used which is in combination with dasabuvir sodium hydrate, ombitasvir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_85188 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:25646891 PMID:25644279 Wikipedia:Paritaprevir PMID:25680759 CAS:1216941-48-8 KEGG:D10580 PMID:25706092 |
|
| definition |
An azamacrocycle which is used which is in combination with dasabuvir sodium hydrate, ombitasvir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. |
|
| formula |
C40H43N7O7S |
|
| has_exact_synonym |
(2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
ABT 450 ABT450 Veruprevir |
|
| id |
CHEBI:85188 |
|
| in_subset | ||
| inchi |
InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26+,32-,34-,40+/m0/s1 |
|
| inchikey |
UAUIUKWPKRJZJV-MDJGTQRPSA-N |
|
| label |
paritaprevir |
|
| mass |
765.87700 |
|
| monoisotopicmass |
765.29447 |
|
| notation |
CHEBI:85188 |
|
| prefLabel |
paritaprevir |
|
| RO_0000087 | ||
| smiles |
Cc1cnc(cn1)C(=O)N[C@H]1CCCCC\C=C/[C@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)Oc1nc2ccccc2c2ccccc12)C(=O)NS(=O)(=O)C1CC1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_52898 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_51454 http://purl.obolibrary.org/obo/CHEBI_62733 http://purl.obolibrary.org/obo/CHEBI_38314 http://purl.obolibrary.org/obo/CHEBI_24995 |