Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Buy offers
  • Encyclopedia
  • Suppliers
Home> Encyclopedia >   /  Other Chemicals  /  Pharmaceutical Intermediates  /  Others  /  Others  /  Hormones and synthetic substitutes
1377049-84-7 structure

Velpatasvir

Iupac Name:methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CAS No.:1377049-84-7
EINECS(EC#): 1592732-453-0
Molecular Weight:883.00200
Molecular Formula:C49H54N8O8 (isomer)
1. Names and Identifiers
1.1 Synonyms

1377049-84-7 AC-28744 AS-35237 BCP13813 Carbamic acid, N-[(1R)-2-[(2S,4S)-2-[5-[1,11-dihydro-2-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-5-methyl-2-pyrrolidinyl][2]benzopyrano[4,3:6,7]naphth[1,2-d]imidazol-9-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethyl]-, methyl ester CCG-270553 CHEBI:133009 CHEMBL3545062 CS-5977 D10806 DB11613 EX-A2320 FT-0700879 GS 5816 GS5816 GS-5816 GS-5816GS5816GS 5816 HY-12530 J3.631.686A KCU0C7RS7Z KS-000006AZ methyl ((2s)-1-((2s,5s)-2-(9-(2-((2s,4s)-1-((2r)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1h-imidazol-5-yl)-1,11-dihydroisochromeno(4',3':6,7)naphtho(1,2-d)imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate Methyl [(2S)-1-[(2S,5S)-2-[9-[2-[(2S,4S)-1-[(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-y Methyl [(2S)-1-[(2S,5S)-2-[9-[2-[(2S,4S)-1-[(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-4-yl}-1,11-dihydro[2]benzopyrano[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1,3,6,8,10,12,14,16,18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate methyl{(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl}-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate MFCD28411371 NCGC00522503-01 Product:Velpatasvir Q25018296 s3724 SB19241 SCHEMBL19236068 SCHEMBL8756902 Unifiram (DM-232) UNII-KCU0C7RS7Z Velpatasvir Velpatasvir (JAN/USAN/INN) Velpatasvir [USAN:INN] Velpatasvir API Velpatasvir(GS5816) velpatasvir(GS-5816) Velpatasvir GS-5816 Verpatasvir ZINC203686879

1.2 Inchi
InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1
1.3 InChkey
FHCUMDQMBHQXKK-CDIODLITSA-N
1.4 Canonical Smiles
CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)C8CC(CN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)COC
1.5 Isomers Smiles
C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)COC
2. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3. Computational chemical data
  • Molecular Weight:883.00200g/mol
  • Molecular Formula:C49H54N8O8
  • Compound Is Canonicalized:True
  • Exact Mass:882.406
  • Monoisotopic Mass:882.406
  • Complexity:1690
  • Rotatable Bond Count:13
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:193A^2
  • Heavy Atom Count:65
  • Defined Atom Stereocenter Count:6
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB//AAAAAAAAAAAAAAAAAAAAWLFiwA0YMGCAAAAAFjR/AAAHgAQAAAADSzhnwY/3vfJlACo Azd3fACCiC2xMqAJ2aG+fJmMbrLEvbuWOCju1hPI6Ce42POO6AADQAAaACDQAAaAADQAQAAAAAAA AA==
4. Similar Structures Products
5. Recommended Suppliers
Global(86)Suppliers
Purity:99% Packing:1KG/Bag FOB Price:1 USD/Gram Inquire
  • Products:chemicals
  • Tel:86-27-8097544
  • Email:ada@ipurechemical.com
Purity:99% Packing:500g/bag, 1kg/bag or as you require FOB Price:40 USD/Gram Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Purity:99% Packing:25KG/DRUM FOB Price:1 USD/Kilogram Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
Purity:0.98 Packing:500g Inquire
  • Products:API & API intermediates
  • Tel:86-21-33758180
  • Email:sales@dochemical.com
Purity:98% Packing:as per request Inquire
  • Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
  • Tel:86-571-87758773
  • Email:balas@utanpharma.com
Purity:99% Packing:standard export packing FOB Price:1 USD/Kilogram Inquire
  • Products:Career Henan Chemical Co, facing global High-tech pharmaceutical raw materials, high complex new type intermediates, fine chemicals custom synthesis, scale-up production and Rare chemicals trade.
  • Tel:86-371-86658258
Purity:99%min Packing:1kg/aluminium foil bag or as required FOB Price:1 USD/Kilogram Inquire
  • Products:Pharmaceutical Intermediate; Pharmaceutical Raw Materials; Raw Steroid Powders; Raw Hormone Powders; etc
  • Tel:86-188-74586545
Purity:99% Packing:200kg Galvanized iron drum or according to the customer request FOB Price:15 USD/Kilogram Inquire
  • Products:chemical material
  • Tel:0086-319-3157755
Purity:HPLC>99.0% Packing:10g FOB Price:1 USD/Gram Inquire
  • Products:Technical Services, Technology Transfer, Chemical Raw Materials and Products The wholesale and retail sales of a class of medical devices, instruments, office supplies and daily department stores.
  • Tel:86-21-57800057
Purity:99% Packing:100g/ bag, 2 kg/ bag, 25kg/ carton or as required FOB Price:1 USD/Kilogram Inquire
  • Products:Benzocaine,Oxandrolone,Boldenone undecylenate,Sildenafil citrate,Testosterone,Trenbolone acetate,Cialis
  • Tel:86-27-59721024