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    Saralasin

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Saralasin acetate hydrate, Saralasin acetate [usan], 39698-78-7, Saralasin acetate (usan), Sarenin, Unii-fo21z580m4
    Molecular Formula
    C44H71N13O13
    Molecular Weight
    990.1  g/mol
    InChI Key
    YBZYNINTWCLDQA-UHKVWXOHSA-N
    An octapeptide analog of angiotensin II (bovine) with amino acids 1 and 8 replaced with sarcosine and alanine, respectively. It is a highly specific competitive inhibitor of angiotensin II that is used in the diagnosis of HYPERTENSION.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    acetic acid;(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid;hydrate
    2.1.2 InChI
    InChI=1S/C42H65N13O10.C2H4O2.H2O/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65;1-2(3)4;/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47);1H3,(H,3,4);1H2/t24-,28-,29-,30-,31-,33-,34-;;/m0../s1
    2.1.3 InChI Key
    YBZYNINTWCLDQA-UHKVWXOHSA-N
    2.1.4 Canonical SMILES
    CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)NC(C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CNC.CC(=O)O.O
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC.CC(=O)O.O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. (sar(1),ala(8))angii

    2. (sar1,val5,ala8)angiotensin Ii

    3. 1 Sar 8 Ala Angiotensin Ii

    4. 1 Sarcosine 8 Alanine Angiotensin Ii

    5. 1-sar-8-ala Angiotensin Ii

    6. 1-sarcosine-8-alanine Angiotensin Ii

    7. Angiotensin Ii, 1-sar-8-ala

    8. Angiotensin Ii, 1-sarcosine-8-alanine

    9. Angiotensin Ii, Sar(1)-ala(8)-

    10. Angiotensin Ii, Sarcosyl(1)-alanine(8)-

    11. Anhydrous Saralasin Acetate

    12. Hydrated Saralasin Acetate

    13. Sar-arg-val-tyr-val-his-pro-ala

    14. Saralasin

    15. Saralasin Acetate, Anhydrous

    16. Saralasin Acetate, Hydrated

    2.2.2 Depositor-Supplied Synonyms

    1. Saralasin Acetate Hydrate

    2. Saralasin Acetate [usan]

    3. 39698-78-7

    4. Saralasin Acetate (usan)

    5. Sarenin

    6. Unii-fo21z580m4

    7. Sarenin (tn)

    8. Saralasin Hydrated Acetate

    9. Schembl2200145

    10. Chembl1200670

    11. Fo21z580m4

    12. N-(1-(n-(n-(n-(n-(n2-(n-methylglycyl-l-arginyl)-l-l-valyl)-l-tyrosyl)-l-valyl)-l-histidyl)-l-prolyl)-l-alanine Acetate (salt) Hydrate

    13. Saralasin Acetate(34273-10-4 Free Base)

    14. D04126

    15. Q27278095

    16. [sar1, Val5, Ala8]-angiotensin Ii Acetate Salt Hydrate, >=97% (hplc), Powder

    17. Angiotensin Ii, 1-(n-methylglycine)-5-l-valine-8-l-alanine-, Acetate (salt) Hydrate

    18. N-(1-(n-(n-(n-(n-(n(sup 2)-(n-methylglycyl-l-arginyl)-l-valyl)-l-tyrosyl)-l-valyl)-l-histidyl)-l-prolyl)-l-alanine Acetate (salt) Hydrate

    2.3 Create Date
    2006-11-22
    3 Chemical and Physical Properties
    Molecular Weight 990.1 g/mol
    Molecular Formula C44H71N13O13
    Hydrogen Bond Donor Count14
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count25
    Exact Mass989.52942937 g/mol
    Monoisotopic Mass989.52942937 g/mol
    Topological Polar Surface Area396 Ų
    Heavy Atom Count70
    Formal Charge0
    Complexity1700
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Angiotensin II Type 1 Receptor Blockers

    Agents that antagonize ANGIOTENSIN II TYPE 1 RECEPTOR. Included are ANGIOTENSIN II analogs such as SARALASIN and biphenylimidazoles such as LOSARTAN. Some are used as ANTIHYPERTENSIVE AGENTS. (See all compounds classified as Angiotensin II Type 1 Receptor Blockers.)