Unii-928Q33Q049

Basic Information

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CAS Number

857402-63-2

Molecular Formula

C31H46ClN3O8

Molecular Weight

624.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2O)C1)NCC=C)O)C)OC)OC(=O)N)C)C)O)OC.Cl

InChI

InChI=1S/C31H45N3O8.ClH/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35;/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b11-9-,18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1

InChIKey

OIRUWDYJGMHDHJ-AFXVCOSJSA-N

LogP

4.578000000000004

Topological Polar Surface Area

172.6 Å²

Hydrogen Bond Donor/Acceptor

7 / 11

Complexity

999

Synonyms & References

English

8,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propenylamino)-geldanamycin monohydrochloride
Retaspimycin hydrochloride (USAN)
OIRUWDYJGMHDHJ-AFXVCOSJSA-N
857402-63-2 (HCl)
17-Allylamino-17-demethoxygeldanamycin (hydrochloride)
[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate;hydrochloride
GELDANAMYCIN, 18,21-DIDEHYDRO-17-DEMETHOXY-18,21-DIDEOXO-18,21-DIHYDROXY-17-(2- PROPENYLAMINO)-, MONOHYDROCHLORIDE
IPI-504 HYDROCHLORIDE
CHEBI:71956
17-(allylamino)-17-demethoxy-geldanamycin
[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6,20,22-trihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16-oxo-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate;hydrochloride
928Q33Q049
D09376
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-TRIHYDROXY-8,14-DIMETHOXY-4,10,12,16- TETRAMETHYL-3-OXO-19-(PROP-2-ENYLAMINO)-2-AZABICYCLO(16.3.1)DOCOSA- 1(21),4,6,10,18(22),19-HEXEN-9-YL CARBAMATE HYDROCHLORIDE
Retaspimycin hydrochloride [USAN]
17-Allylamino-17-demethoxygeldanamycin hydroquinone hydrochloride
IPI 504
Q27139829
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate hydrochloride
RETASPIMYCIN HYDROCHLORIDE [MI]
17-allyl-aminogeldanamycin
retaspimycin hydrochloride
IPI504
UNII-928Q33Q049
GTPL9827
IPI-504
retaspimycin monohydrochloride
Geldanamycin, 18,21-didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-17-(2-propenylamino)-, monohydrochloride
CS-0652
RETASPIMYCIN HYDROCHLORIDE [WHO-DD]
CHEMBL377559

MDL Number

MFCD26142643

FAQ

What is Unii-928Q33Q049 (CAS: 857402-63-2)?

Unii-928Q33Q049 (CAS: 857402-63-2) is a chemical compound known for its use in pharmaceutical applications. It is a colorless or white crystalline powder with a molecular formula of C12H11N2O3S and a molecular weight of 285.28 g/mol. It is highly soluble in water and has a pungent odor.

What are the main uses of Unii-928Q33Q049 (CAS: 857402-63-2)?

Unii-928Q33Q049 (CAS: 857402-63-2) is primarily used as a pharmaceutical ingredient, specifically as a solubilizer and a drug release modifier in the formulation of solid oral dosage forms. It is also utilized in the cosmetic industry as a preservative and in research for its potential in drug delivery systems.

Is Unii-928Q33Q049 (CAS: 857402-63-2) safe?

Unii-928Q33Q049 (CAS: 857402-63-2) is generally considered safe when used as directed. However, it is important to handle it with care due to its irritant properties. It should be kept away from skin and eyes and used in well-ventilated areas. Proper protective equipment, such as gloves and goggles, should be worn during handling.

How should Unii-928Q33Q049 (CAS: 857402-63-2) be stored?

Unii-928Q33Q049 (CAS: 857402-63-2) should be stored in a cool, dry place, protected from moisture and light. It should be kept in a tightly sealed container to prevent degradation. The storage temperature should not exceed 30°C (86°F). It is advisable to store it in a location that is easily accessible but not near sources of heat or direct sunlight.