1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Basic information
- CAS
9034-50-8- Standard SMILES
CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O- InChIKey
OXDZADMCOWPSOC-UHFFFAOYSA-N- Molecular formula
- C43H67N15O12S2
- Average molar mass
- 1,050.2 g/mol
- Monoisotopic mass
- 1,049.45350498
Names & identifiers
- Preferred name
- 1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
- IUPAC
- 1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
- English name
- Vasopressin
- Molecular formula
- C43H67N15O12S2
- Molecular weight
- 1050.22
Names & synonyms
1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-butan-2-yl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamideCYS-TYR-ILE-GLN-ASN-CYS-PRO-ARG-GLY-NH2 ACETATE SALT(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamideorb321780SCHEMBL15511347PVP-4192-V[Arg8]-Vasotocin (0.5 mg vial)C43H67N15O12S2Cys-Tyr-lle-Gln-Asn-Cys-Pro-Arg-Gly-NH21-[19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-sec-butyl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]pyrrolidine-2-carboxamide
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 515 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 19
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 1,990
Physicochemical properties
- Sequence
- 2 · CYS-TYR-ILE-GLN-ASN-CYS-PRO-ARG-GLY-NH2
- CAS DataBase Reference
- 9034 · 9034-50-8
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4907 O6MFD · Y4907O6MFD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280
- HS Code
- 3504009000 · 3504009000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 3504009000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280
Chemistry & industry
Applications
DescriptionVasopressin, also called antidiuretic hormone (A D H) or arginine vasopressin (AVP), is another hormone key to water homeostasis and blood pressure regulation. A rginine vasopressin is produced in the neurones of the hypothalamus and stored in vesicles within the posterior pituitary. Vasopressin is released in response to increased blood osmolality detected by hypothalamic osmoreceptors; systemic hypotension or hypovolaemia detected by cardiopulmonary baroreceptors of the great veins and atria; or angiotensin I I acting on the hypothalamus.
UsesVasopressin is a peptide hormone secreted by the hypothalamus via the posterior pituitary. Its primary role is the regulation of body fluid balance. It is secreted in response to hypotension and promotes retention of water by action on specific cAMP-coupled V2 receptors. It causes vasoconstriction by stimulating V1 receptors in VSM and is particularly potent in hypotensive patients. It is increasingly used in the treatment of refractory vasodilatory shock which is resistant to catecholamines. The vasopressin analogue desmopressin is used to treat diabetes insipidus and in the management of von Willebrand's disease. Terlipressin (another analogue) is used to limit bleeding from oesophageal varices in patients with portal hypertension. When used for the management of low SVR states, vasopressin is administered as an i.v. infusion at a rate of 0.01–0.1 units min–1.
UsesHormone (antidiuretic).
Description8-L-Arginine Vasopressin’s molecular weight is 1084.24 Dalton and the molecular formula is: C46H65N15O12S2.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…