Angiotenzinamid

Angiotenzinamid
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	53-73-6^Y
ATC kod	C01CX06 (WHO)
PubChem	CID 10351092
ChemSpider	8526544^Y
UNII	7WAL1X78KV^Y
KEGG	D02939^Y
ChEMBL	CHEMBL409803^Y
Hemijski podaci
Formula	C₄₉H₇₀N₁₄O₁₁
Molarna masa	1031,167
SMILES CC(C)[C@H](\N=C(/O)\[C@H](CCCNC(=N)N)\N=C(/O)\[C@@H](N)CC(=N)O)\C(=N\[C@@H](Cc1ccc(O)cc1)\C(=N\[C@@H](C(C)C)\C(=N\[C@@H](Cc2cnc[nH]2)C(=O)N3CCC[C@H]3\C(=N\[C@@H](Cc4ccccc4)C(=O)O)\O)\O)\O)\O
InChI InChI=1S/C49H70N14O11/c1-26(2)39(61-42(67)33(12-8-18-55-49(52)53)57-41(66)32(50)23-38(51)65)45(70)58-34(20-29-14-16-31(64)17-15-29)43(68)62-40(27(3)4)46(71)59-35(22-30-24-54-25-56-30)47(72)63-19-9-13-37(63)44(69)60-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,64H,8-9,12-13,18-23,50H2,1-4H3,(H2,51,65)(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,73,74)(H4,52,53,55)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1^Y Key:JYPVVOOBQVVUQV-CGHBYZBKSA-N^Y

Angiotenzinamid je organsko jedinjenje, koje sadrži 49 atoma ugljenika i ima molekulsku masu od 1031,167 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	21
Broj donora vodonika	15
Broj rotacionih veza	29
Particioni koeficijent^[1] (ALogP)	0,8
Rastvorljivost^[2] (logS, log(mol/L))	-9,7
Polarna površina^[3] (PSA, Å²)	434,1

^ Ghose, A.K.; Viswanadhan V.N. & Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”. J. Phys. Chem. A. 102: 3762—3772. doi:10.1021/jp980230o.
^ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Chem Inf. Comput. Sci. 41: 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl P.; Rohde B.; Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”. J. Med. Chem. 43: 3714—3717. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.