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    Synnat Rocuronium Bromide

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    Chemistry

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    Also known as: 119302-91-9, Zemuron, Esmeron, Rocuronium (bromide), Org 9426, Org-9426
    Molecular Formula
    C32H53BrN2O4
    Molecular Weight
    609.7  g/mol
    InChI Key
    OYTJKRAYGYRUJK-FMCCZJBLSA-M
    FDA UNII
    I65MW4OFHZ
    Rocuronium Bromide
    An androstanol non-depolarizing neuromuscular blocking agent. It has a mono-quaternary structure and is a weaker nicotinic antagonist than PANCURONIUM.
    1 2D Structure

    Rocuronium Bromide

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;bromide
    2.1.2 InChI
    InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1
    2.1.3 InChI Key
    OYTJKRAYGYRUJK-FMCCZJBLSA-M
    2.1.4 Canonical SMILES
    CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]
    2.1.5 Isomeric SMILES
    CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]
    2.2 Other Identifiers
    2.2.1 UNII
    I65MW4OFHZ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(17-(acetoyl)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)pyrrolidinium

    2. Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-(2-propen-1-yl)-1-pyrrolidiniumyl)-, 17-acetate, (2beta,3alpha,5alpha,16beta,17beta)-

    3. Esmeron

    4. Esmerone

    5. Org 9426

    6. Org-9426

    7. Org9426

    8. Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, Bromide

    9. Rocuronium

    10. Zemuron

    2.3.2 Depositor-Supplied Synonyms

    1. 119302-91-9

    2. Zemuron

    3. Esmeron

    4. Rocuronium (bromide)

    5. Org 9426

    6. Org-9426

    7. Chebi:8885

    8. I65mw4ofhz

    9. 1-allyl-1-(3alpha,17beta-dihydroxy-2beta-morpholino-5alpha-androstan-16beta-yl)pyrrolidinium Bromide, 17-acetate

    10. [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate;bromide

    11. Pyrrolidinium, 1-[(2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl]-1-(2-propenyl)-, Bromide

    12. Rocuronium Hydrobromide

    13. 1-[17b-(acetyloxy)-3a-hydroxy-2b-(4-morpholinyl)-5a-androstan-16b-yl]-1-(2-propenyl)pyrrolidinium Bromide

    14. Pyrrolidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, Bromide

    15. Ncgc00167433-01

    16. Unii-i65mw4ofhz

    17. Org9426

    18. Eslax

    19. Rocuroniumbromide

    20. Zemuron (tn)

    21. Mfcd00867768

    22. Rocuronium Bromide [usan:usp:inn:ban]

    23. Rocuronium Bromide - Ep

    24. Dsstox_cid_3566

    25. Org 9426 (bromide)

    26. Dsstox_rid_77083

    27. Dsstox_gsid_23566

    28. Schembl41320

    29. (+)-rocuronium Bromide

    30. Rocuronium Bromide [mi]

    31. Chembl1200648

    32. Dtxsid7023566

    33. Rocuronium Bromide [inn]

    34. Rocuronium Bromide [jan]

    35. Rocuronium Bromide [usan]

    36. Hms3884o13

    37. Rocuronium Bromide [vandf]

    38. Rocuronium Bromide [mart.]

    39. Rocuronium Bromide (jan/usp/inn)

    40. Rocuronium Bromide [usp-rs]

    41. Rocuronium Bromide [who-dd]

    42. Tox21_112437

    43. Bdbm50248153

    44. S1397

    45. Akos025149635

    46. Ac-2004

    47. Ccg-270222

    48. Cs-1467

    49. Rocuronium Bromide [orange Book]

    50. Rocuronium Bromide [ep Monograph]

    51. 1-((2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-17-acetoxy-3-hydroxy-10,13-dimethyl-2-morpholinohexadecahydro-1h-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidin-1-ium Bromide

    52. 111ge014

    53. As-13323

    54. Br177300

    55. Hy-17440

    56. Rocuronium Bromide [usp Monograph]

    57. Bcp0726000028

    58. Cas-119302-91-9

    59. R0099

    60. D00765

    61. Q-101010

    62. Q27108171

    63. Rocuronium Bromide, >=98% (perchloric Acid Titration)

    64. Rocuronium Bromide, European Pharmacopoeia (ep) Reference Standard

    65. Rocuronium Bromide, United States Pharmacopeia (usp) Reference Standard

    66. Rocuronium For Peak Identification, European Pharmacopoeia (ep) Reference Standard

    67. (2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-morpholin-4-yl-16-(1-prop-2-en-1-ylpyrrolidinium-1-yl)androstane Bromide

    68. 1-((2s,3s,8r,9s,10s,13s,14s,16s,17r)-17-acetoxy-3-hydroxy-10,13-dimethyl-2-morpholinohexadecahydro-1h-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidinium Bromide

    69. 1-[(2beta,3alpha,5alpha,16beta,17beta)-17-acetyloxy-3-hydroxy-2-(4-morpholinyl)-androstan-16-yl]-1(2-propenyl)pyrrolidinium Bromide

    70. 1-[17beta-acetyloxy-3alpha-hydroxy-2beta-(4-morpholinyl)-5alpha-androstan-16beta-yl]-1-(2-propenyl)pyrrolidinium Bromide

    71. 1-allyl-1-(3.alpha.,17.beta.-dihydroxy-2.beta.-morpholino-5.alpha.-androstan-16.beta.-yl)pyrrolidinium Bromide, 17-acetate

    72. 17beta-(acetyloxy)-3alpha-hydroxy-2beta-(morpholin-4-yl)-16beta-[1-(prop-2-en-1-yl)pyrrolidinium-1-yl]-5alpha-androstane

    73. 17beta-acetoxy-16beta-(1-allylpyrrolidinium-1-yl)-3alpha-hydroxy-2beta-(morpholin-4-yl)-5alphaandrostane

    74. Pyrrolidinium, 1-((2.beta.,3.alpha.,5.alpha.,16.beta.,17.beta.)-17-(acetyloxy)-3-hydroxy-2-(4-morpholinyl)androstan-16-yl)-1-(2-propenyl)-, Bromide

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 609.7 g/mol
    Molecular Formula C32H53BrN2O4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass608.31887 g/mol
    Monoisotopic Mass608.31887 g/mol
    Topological Polar Surface Area59 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity898
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 4  
    Drug NameRocuronium bromide
    PubMed HealthRocuronium (Injection)
    Drug ClassesMusculoskeletal Agent
    Drug LabelRocuronium bromide injection is a nondepolarizing neuromuscular blocking agent with a rapid to intermediate onset depending on dose and intermediate duration. Rocuronium bromide USP is chemically designated as 1-[17-(acetyloxy)-3-hydroxy-2-(4-m...
    Active IngredientRocuronium bromide
    Dosage FormInjectable
    RouteInjection
    Strength50mg/5ml (10mg/ml); 100mg/10ml (10mg/ml)
    Market StatusPrescription
    CompanySagent Strides; Hospira; Sandoz; Teva Pharms; Fresenius Kabi Usa; Tamarang; Mylan Institutional

    2 of 4  
    Drug NameZemuron
    Drug LabelZEMURON (rocuronium bromide) injection is a nondepolarizing neuromuscular blocking agent with a rapid to intermediate onset depending on dose and intermediate duration. Rocuronium bromide is chemically designated as 1-[17-(acetyloxy)-3-hydroxy-2...
    Active IngredientRocuronium bromide
    Dosage FormInjectable
    RouteInjection
    Strength50mg/5ml (10mg/ml); 100mg/10ml (10mg/ml)
    Market StatusPrescription
    CompanyOrganon Usa

    3 of 4  
    Drug NameRocuronium bromide
    PubMed HealthRocuronium (Injection)
    Drug ClassesMusculoskeletal Agent
    Drug LabelRocuronium bromide injection is a nondepolarizing neuromuscular blocking agent with a rapid to intermediate onset depending on dose and intermediate duration. Rocuronium bromide USP is chemically designated as 1-[17-(acetyloxy)-3-hydroxy-2-(4-m...
    Active IngredientRocuronium bromide
    Dosage FormInjectable
    RouteInjection
    Strength50mg/5ml (10mg/ml); 100mg/10ml (10mg/ml)
    Market StatusPrescription
    CompanySagent Strides; Hospira; Sandoz; Teva Pharms; Fresenius Kabi Usa; Tamarang; Mylan Institutional

    4 of 4  
    Drug NameZemuron
    Drug LabelZEMURON (rocuronium bromide) injection is a nondepolarizing neuromuscular blocking agent with a rapid to intermediate onset depending on dose and intermediate duration. Rocuronium bromide is chemically designated as 1-[17-(acetyloxy)-3-hydroxy-2...
    Active IngredientRocuronium bromide
    Dosage FormInjectable
    RouteInjection
    Strength50mg/5ml (10mg/ml); 100mg/10ml (10mg/ml)
    Market StatusPrescription
    CompanyOrganon Usa

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Neuromuscular Nondepolarizing Agents

    Drugs that interrupt transmission at the skeletal neuromuscular junction without causing depolarization of the motor end plate. They prevent acetylcholine from triggering muscle contraction and are used as muscle relaxants during electroshock treatments, in convulsive states, and as anesthesia adjuvants. (See all compounds classified as Neuromuscular Nondepolarizing Agents.)

    5.2 FDA Pharmacological Classification
    5.2.1 Pharmacological Classes
    Nondepolarizing Neuromuscular Blocker [EPC]; Neuromuscular Nondepolarizing Blockade [PE]
    5.3 ATC Code

    M - Musculo-skeletal system

    M03 - Muscle relaxants

    M03A - Muscle relaxants, peripherally acting agents

    M03AC - Other quaternary ammonium compounds

    M03AC09 - Rocuronium bromide

    API Reference Price

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ROCKY MOUNT,NC. 27804 USA , UNITED STATESSDNF UNITED STATES","customerAddress":"PLOT NO.B3,B4&B5 PT SIPCOT,INDUSTR"},{"dataSource":"API Import","activeIngredients":"","year":"2024","qtr":"Q3","strtotime":1722796200,"product":"ROCURONIUM BROMIDE-PROCESS II","address":"304,TOWN CENTRE,","city":"MUMBAI \/ MAHARASHTRA","supplier":"FARMHISPANIA","supplierCountry":"SPAIN","foreign_port":"BARCELONA","customer":"NAPROD LIFE SCIENCES","customerCountry":"INDIA","quantity":"0.04","actualQuantity":"0.035","unit":"KGS","unitRateFc":"27857.1","totalValueFC":"1083.1","currency":"EUR","unitRateINR":"2569821.4","date":"05-Aug-2024","totalValueINR":"89943.75","totalValueInUsd":"1083.1","indian_port":"Bombay Air","hs_no":"29349990","bill_no":"4892122","productDescription":"API","marketType":"REGULATED MARKET","country":"SPAIN","selfForZScoreResived":"Pharma Grade","supplierPort":"BARCELONA","supplierAddress":"PASSEIG DEL RIU BESOS 9-10MONTMELO -08160BARCELONA SPAIN","customerAddress":"304,TOWN CENTRE,"}]
    11-Jan-2021
    11-Aug-2024
    KGS
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    Average Price (USD/KGS)

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    DOSAGE - INJECTABLE;INJECTION - 100MG/10ML (1...DOSAGE - INJECTABLE;INJECTION - 100MG/10ML (10MG/ML) **Federal Register determination that product was not discontinued or withdrawn for safety or effectiveness reasons**

    USFDA APPLICATION NUMBER - 20214

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    DOSAGE - INJECTABLE;INJECTION - 10MG/ML (10MG...DOSAGE - INJECTABLE;INJECTION - 10MG/ML (10MG/ML) **Federal Register determination that product was not discontinued or withdrawn for safety or effectiveness reasons**

    USFDA APPLICATION NUMBER - 20214

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    DOSAGE - INJECTABLE;INJECTION - 50MG/5ML (10M...DOSAGE - INJECTABLE;INJECTION - 50MG/5ML (10MG/ML) **Federal Register determination that product was not discontinued or withdrawn for safety or effectiveness reasons**

    USFDA APPLICATION NUMBER - 20214

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