Desmopressin Acetate - ≥98% , CAS No.62288-83-9

CAS: 62288-83-9 Cat. No.: D332882 분자식: C₄₈H₆₈N₁₄O₁₄S₂ 분자량: 1129.27 PubChem CID: 64758

등급 & 순도 ≥98%

Synonyms

1-(3-Mercaptopropanoic Acid)-8-d-arginine Vasopressin Monoacetate | Desmospray | DDAVP

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Desmopressin Acetate is a synthetic analog of Vasotocin with antidiuretic activity and decreased pressor effects. It Improves hemostatsis by increasing plasma levels of von Willebrand factor, factor VIII and tissue plasminogen activator.

사양

동의어

1-(3-Mercaptopropanoic Acid)-8-d-arginine Vasopressin Monoacetate | Desmospray | DDAVP

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

504753920

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753920

정식 스마일

CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N

IUPAC Name

acetic acid;N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide

InChIKey

MLSVJHOYXJGGTR-UHFFFAOYSA-N

INCHI

1S/C46H64N14O12S2.C2H4O2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;1-2(3)4/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);1H3,(H,3,4)

이성체 SMILES

CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N

RTECS

YW9000000

PubChem CID

64758

분자량

1129.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Cyclic peptides Proline and derivatives N-acyl-alpha amino acids and derivatives Macrolactams Alpha amino acid amides Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Primary carboxylic acid amides Organic disulfides Lactams Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Alpha-oligopeptide - Cyclic alpha peptide - N-acyl-alpha amino acid or derivatives - Macrolactam - Proline or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-acylpyrrolidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-acyl-amine - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Guanidine - Lactam - Organic disulfide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboximidamide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in water (50 mg/ml at 25 °C), methanol, and DMSO.
• 감도: Moisture sensitive
• 녹는점(°C): 170-172° C (dec.)
• 분자량: 1129.300 g/mol
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 19
• Exact Mass: 1128.45 Da
• Monoisotopic Mass: 1128.45 Da
• Topological Polar Surface Area: 526.000 Ų
• Heavy Atom Count: 78
• Formal Charge: 0
• Complexity: 2070.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 7
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3