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Desmopressin Acetate 2mg

CAT: 0628-A15065-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A15065-2Size:2 mg
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CAS Number
62288-83-9

Chemical Information

Desmopressin (Acetate)

See also: Desmopressin acetate anhydrous (annotation moved to).

CAS Number62288-83-9
PubChem CID64758
IUPAC Nameacetic acid;N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[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
Molecular FormulaC48H68N14O14S2
Molecular Weight1129.3
Topological Polar Surface Area526
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count17
Rotatable Bond Count19
Heavy Atom Count78
Formal Charge0
Complexity2070
SMILES
CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=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)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
InChI
InChI=1S/C46H64N14O12S2.C2H4O2/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)
InChIKey
MLSVJHOYXJGGTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Desmopressin (Acetate)
CAS: 62288-83-9
CID: 64758
Formula: C48H68N14O14S2
MW: 1129.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1129.3
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count17
Rotatable Bond Count19
Exact Mass1128.44808525
Monoisotopic Mass1128.44808525
Topological Polar Surface Area526 Ų
Heavy Atom Count78
Formal Charge0
Complexity2070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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