Desmopressin acetate trihydrate

CAT: 0931-T21296Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0931-T21296Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

62357-86-2

Bioactivity

Desmopressin acetate is a synthetic replacement for vasopressin, which reduces urine production. Medical use of Desmopressin acetate includes: (a) bed wetting; (b) diabetes insipidus; (c) nighttime urination; (d) clotting disorders.

Smiles

CC(O)=O.O=C([C@H]1NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CCSSC1)=O)CC2=CC=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CCC(N)=O)=O)CC(N)=O)=O)N4[C@@H](CCC4)C(N[C@H](CCCNC(N)=N)C(NCC(N)=O)=O)=O.O.O.O

Molecular Formula

C48H74N14O17S2

Molecular Weight

1189.32

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Desmopressin acetate trihydrate

Desmopressin acetate trihydrate is the trihydrate of the acetic acid salt of desmopressin. An antidiuretic, it increases urine concentration and decreases urine production, and is used to prevent and control excessive thirst, urination, and dehydration caused by injury, surgery, and certain medical conditions. It is also used in the diagnosis and treatment of cranial diabetes insipidus and in tests of renal function. It contains a desmopressin acetate (anhydrous).

CAS Number	62357-86-2
PubChem CID	46783812
IUPAC Name	acetic acid;(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-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;trihydrate
Molecular Formula	C48H74N14O17S2
Molecular Weight	1183.3
Topological Polar Surface Area	529
Hydrogen Bond Donor Count	17
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	19
Heavy Atom Count	81
Formal Charge	0
Complexity	2070

SMILES

CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=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)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N.O.O.O

InChI

InChI=1S/C46H64N14O12S2.C2H4O2.3H2O/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;1-2(3)4;;;/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);1H3,(H,3,4);3*1H2/t28-,29+,30+,31+,32+,33+,34+;;;;/m1..../s1

InChIKey

YNKFCNRZZPFMEX-XHPDKPNGSA-N

Chemical Structure

2D Structure

CAS: 62357-86-2

CID: 46783812

Formula: C48H74N14O17S2

MW: 1183.3

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1183.3
Hydrogen Bond Donor Count	17
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	19
Exact Mass	1182.47977929
Monoisotopic Mass	1182.47977929
Topological Polar Surface Area	529 Å²
Heavy Atom Count	81
Formal Charge	0
Complexity	2070
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T29912-01	Alstonidine acetate trihydrate
TSH-00234	Sodium acetate trihydrate
TYD-00868-01	Lead (II) acetate trihydrate
T5144-01	Desmopressin acetate (16679-58-6 free base)
T5019-01	Desmopressin
T202463-01	Rovatirelin trihydrate
T6381-01	Amifostine trihydrate
T0186-01	Docetaxel trihydrate
T0814-01	Ampicillin Trihydrate
T77201-01	Rutin trihydrate

Alternative Products

Catalog	Name
GTR19201809	Desmopressin acetate trihydrate
413260	Desmopressin acetate

Desmopressin acetate trihydrate

Chemical Information

Related Products

Alternative Products

Popular Products