Terlipressin

(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]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]-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide

CAS: 14636-12-5

Molecular Formula	`C52H74N16O15S2`
Molecular Weight	1227.4 g/mol
LogP	-5.8
Topological Polar Surface Area	563.0 A2
Hydrogen Bond Donors	16
Hydrogen Bond Acceptors	19
Rotatable Bonds	25
Exact Mass	1226.4961
Heavy Atoms	85
Complexity	2380.0

Chemical Identifiers

CAS Number	14636-12-5
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)NC(=O)CNC(=O)CNC(=O)CN)C(=O)NC(CCCCN)C(=O)NCC(=O)N`
InChIKey	`BENFXAYNYRLAIU-QSVFAHTRSA-N`

📖 Product Overview

Terlipressin (CAS: 14636-12-5) is a chemical compound with molecular formula C52H74N16O15S2 and molecular weight 1227.4 g/mol. Its IUPAC systematic name is (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]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]-N-[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide. LogP -5.8 Topological Polar Surface Area 563.0 A2 Hydrogen Bond Donors 16 Hydrogen Bond Acceptors 19 Rotatable Bonds 25 Exact Mass 1226.4961 Heavy Atoms 85 Complexity 2380.0 InChI Key: BENFXAYNYRLAIU-QSVFAHTRSA-N. 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)NC(=O)CNC(=O)CNC(=O)CN)C(=O)NC(CCCCN)C(=O)NCC(=O)N.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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