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ACTIVE PHARMA INGREDIENTS

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Satavaptan Phosphate

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 Formula	C₃₃H₄₈N₃O₁₂PS
Molecular Weight	741.8 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Exact Mass	741.26963215 g/mol
Monoisotopic Mass	741.26963215 g/mol
Topological Polar Surface Area	210 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)

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