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Name |
Ornipressin |
EINECS | 222-253-8 |
CAS No. | 3397-23-7 | Density | 1.32 g/cm3 |
PSA | 476.15000 | LogP | 1.14600 |
Solubility | N/A | Melting Point |
N/A |
Formula | C45H63N13O12S2 | Boiling Point | 1616.2 °C at 760 mmHg |
Molecular Weight | 1042.21 | Flash Point | 931.3 °C |
Transport Information | N/A | Appearance | White powder |
Safety | Risk Codes | R11; R36/37/38; R51/53; R10 | |
Molecular Structure | Hazard Symbols | F,Xi,N | |
Synonyms |
Ornipressin Acetate;1,2-Dithia-5,8,11,14,17-pentaazacycloeicosane,cyclic peptide deriv.;Orn8-vasopressin;Ornithine-vasopressin;POR 8;[8-Ornithine]vasopressin;Vasopressin,8-L-ornithine-; |
1. Introduction of Ornipressin
Ornipressin is one kind of white powder. The IUPAC Name of this chemical is N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[19-amino-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. Besides, Ornipressin belongs to Amino Acid Derivatives; Peptide. In addition, the Classification Code of this chemical is Cardiovascular Agents; Coagulants; Hematologic Agents; Hemostatics; Vasoconstrictor agents. Ornipressin can soluble in water or 1% acetic acid.
2. Properties of Ornipressin
Physical properties about Ornipressin are:
(1)XLogP3-AA: -4.2; (2)H-Bond Donor: 13; (3)H-Bond Acceptor: 16; (4)Rotatable Bond Count: 18; (5)Tautomer Count: 1001; (6)Exact Mass: 1041.416057; (7)MonoIsotopic Mass: 1041.416057; (8)Topological Polar Surface Area: 476; (9)Heavy Atom Count: 72; (10)Formal Charge: 0; (11)Complexity: 1940; (12)Isotope Atom Count: 0; (13)Defined Atom Stereocenter Count: 0; (14)Undefined Atom Stereocenter Count: 8; (15)Defined Bond Stereocenter Count: 0; (16)Undefined Bond Stereocenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
3. Structure Descriptors of Ornipressin
(1)InChI: InChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41)(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)
(2)InChIKey: MUNMIGOEDGHVLE-UHFFFAOYSA-N
(3)Canonical SMILES: C1CC(N(C1)C(=O)C2CSSCC(C(=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)N)C(=O)NC(CCCN)C(=O)NCC(=O)N
(4)Smiles: N1([C@@H](C(N[C@@H](C(NCC(N)=O)=O)CCCN)=O)CCC1)C([C@@H]1NC([C@@H](NC([C@@H](NC([C@@H](Cc2ccccc2)NC([C@@H](NC([C@@H](CSSC1)N)=O)Cc1ccc(O)cc1)=O)=O)CCC(N)=O)=O)CC(N)=O)=O)=O
4. Uses of Ornipressin
Ornipressin is a synthetic analog of vasopressin with ORNITHINE substitution at residue 8 of the cyclic nonapeptide. It is used as a local vasoconstrictor and hemostatic. Ornipressin is a vasoconstrictor, haemostatic and renal agent.