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Technical details about Satavaptan Phosphate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: Sr 121463b, Sr-121463b, Ey1272i0w2, 308145-17-7, Benzamide, n-(1,1-dimethylethyl)-4-((cis-5'-ethoxy-4-(2-(4-morpholinyl)ethoxy)-2'-oxospiro(cyclohexane-1,3'-(3h)indol)-1'(2'h)-yl)sulfonyl)-3-methoxy-, phosphate (1:1), Sr121463b
Molecular Formula
C33H48N3O12PS
Molecular Weight
741.8  g/mol
InChI Key
VFUAOLYIYUOYQQ-UHFFFAOYSA-N
FDA UNII
EY1272I0W2

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-tert-butyl-4-[5'-ethoxy-4-(2-morpholin-4-ylethoxy)-2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl]sulfonyl-3-methoxybenzamide;phosphoric acid
2.1.2 InChI
InChI=1S/C33H45N3O8S.H3O4P/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4;1-5(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37);(H3,1,2,3,4)
2.1.3 InChI Key
VFUAOLYIYUOYQQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=CC2=C(C=C1)N(C(=O)C23CCC(CC3)OCCN4CCOCC4)S(=O)(=O)C5=C(C=C(C=C5)C(=O)NC(C)(C)C)OC.OP(=O)(O)O
2.2 Other Identifiers
2.2.1 UNII
EY1272I0W2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-(4-(n-tert-butylcarbamoyl)-2-methoxybenzenesulfonyl)-5-ethoxy-3-spiro(4-(2-morpholinoethoxy)cyclohexane)indoline-2-one, Phosphate Monohydrate Cis-isomer

2. 1-(4-(n-tert-butylcarbamoyl)-2-methoxybenzenesulfonyl)-5-ethoxy-3-spiro-(4-(2-morpholinoethoxy)cyclohexane)indol-2-one Fumarate

3. Satavaptan

4. Sr 121463a

5. Sr-121463

6. Sr-121463b

7. Sr121463b

2.3.2 Depositor-Supplied Synonyms

1. Sr 121463b

2. Sr-121463b

3. Ey1272i0w2

4. 308145-17-7

5. Benzamide, N-(1,1-dimethylethyl)-4-((cis-5'-ethoxy-4-(2-(4-morpholinyl)ethoxy)-2'-oxospiro(cyclohexane-1,3'-(3h)indol)-1'(2'h)-yl)sulfonyl)-3-methoxy-, Phosphate (1:1)

6. Sr121463b

7. Unii-ey1272i0w2

8. Satavaptan Phosphate [who-dd]

9. Q27277421

2.4 Create Date
2012-03-21
3 Chemical and Physical Properties
Molecular Weight 741.8 g/mol
Molecular Formula C33H48N3O12PS
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass741.26963215 g/mol
Monoisotopic Mass741.26963215 g/mol
Topological Polar Surface Area210 Ų
Heavy Atom Count50
Formal Charge0
Complexity1170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antidiuretic Hormone Receptor Antagonists

Endogenous compounds and drugs that inhibit or block the activity of ANTIDUIRETIC HORMONE RECEPTORS. (See all compounds classified as Antidiuretic Hormone Receptor Antagonists.)