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Terlipressin Acetate

CAT: 1568-C06836-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C06836-1gSize:1 g
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CAS Number
14636-12-5
Synonyms
Gly-Gly-Gly-Cys-Tyr-Phe-Gln-Asn-Cys-Pro-Lys-Gly-NH2 (Cys4-Cys9)
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
Molecular Formula
C52H74N16O15S2
Additionnal Information
Terlipressin Acetate is an analogue of vasopressin used as a vasoactive drug in the management of hypotension. It has been found to be effective when norepinephrine does not help.
Storage Conditions
3 years-20°C powder

Chemical Information

Terlipressin

Terlipressin is a polypeptide.

CAS Number14636-12-5
PubChem CID72081
IUPAC Name(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
Molecular FormulaC52H74N16O15S2
Molecular Weight1227.4
XLogP-5.8
Topological Polar Surface Area563
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count19
Rotatable Bond Count25
Heavy Atom Count85
Formal Charge0
Complexity2380
SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](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)N[C@@H](CCCCN)C(=O)NCC(=O)N
InChI
InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey
BENFXAYNYRLAIU-QSVFAHTRSA-N
Chemical Structure
2D Structure
2D structure of Terlipressin
CAS: 14636-12-5
CID: 72081
Formula: C52H74N16O15S2
MW: 1227.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1227.4
XLogP3-5.8
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count19
Rotatable Bond Count25
Exact Mass1226.49609806
Monoisotopic Mass1226.49609806
Topological Polar Surface Area563 Ų
Heavy Atom Count85
Formal Charge0
Complexity2380
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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