CAS No.3397-23-7,Ornipressin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3397-23-7
Name:	Ornipressin

Formula:	C₄₅H₆₃N₁₃O₁₂S₂
Molecular Weight:	1042.21
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-;
EINECS:	222-253-8
Density:	1.32 g/cm³
Boiling Point:	1616.2 °C at 760 mmHg
Flash Point:	931.3 °C
Appearance:	White powder
Hazard Symbols:	F,Xi,N
Risk Codes:	R11; R36/37/38; R51/53; R10
PSA:	476.15000
LogP:	1.14600

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Specification

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.