 Home > Encyclopedia > D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1)

D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1)

D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1) structure

CAS No:
130404-91-0
Formula:
C35H42N4O6.C7H17NO5
Chemical Name:
D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1)
Synonyms:
D-Glucitol,1-deoxy-1-(methylamino)-,4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1);D-Glucitol,1-deoxy-1-(methylamino)-,[R-(R*,R*)]-4-[[2-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (salt);D-Glucitol,1-deoxy-1-(methylamino)-,4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (salt);Butanoic acid,4-[[2-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxo-,[R-(R*,R*)]-,compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1);Butanoic acid,4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxo-,compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1);PD 134308;CI 988

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D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1) Basic Attributes

Molecular Weight：

809.94500

Exact Mass：

809.42110772 g/mol

UNII：

12A1R692BX

Characteristics

PSA：

273.27000

XLogP3：

3.77610

Boiling Point：

949.6ºC

Flash Point：

528.1ºC

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH：

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)|Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)|Chemical substances which inhibit the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites. (See all compounds classified as Hormone Antagonists.)

MeSH Entry Terms：

4-((2-((3-(1H-indol-3-yl)-2-methyl-1-oxo-2-(((tricyclo(3.3.1.1)-dec-2-yloxy)carbonyl)amino)propyl)amino)-1-phenethyl)amino)-4-oxobutanoate N-methyl-D-glucamine

Computed Properties

Molecular Weight:809.9
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:19
Exact Mass:809.42110772
Monoisotopic Mass:809.42110772
Topological Polar Surface Area:263
Heavy Atom Count:58
Complexity:1200
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1)

Basic Attributes
Characteristics
Drug Information
Computed Properties
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