[(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentenoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride hydra te

Basic Information

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CAS Number

147816-24-8

Molecular Formula

C23H32ClN5O9S2

Molecular Weight

622.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Physical State

Powder

Melting Point

158-164°C

Boiling Point

888.4 °C at 760 mmHg

Density

1.47

Flash Point

491.1 °C

Specific Rotation

+49° - +54° (c=1, MeOH)

SMILES

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CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.O.Cl

InChI

InChI=1S/C23H29N5O8S2.ClH.H2O/c1-5-6-12(13-9-38-21(24)26-13)16(29)27-14-17(30)28-15(11(7-34-22(25)33)8-37-18(14)28)19(31)35-10-36-20(32)23(2,3)4;;/h6,9,14,18H,5,7-8,10H2,1-4H3,(H2,24,26)(H2,25,33)(H,27,29);1H;1H2/b12-6-;;/t14-,18-;;/m1../s1

InChIKey

LUXIJPQYUCFVAL-XRLCNELCSA-N

LogP

0.9551000000000007

Topological Polar Surface Area

224.73999999999998 Å²

Hydrogen Bond Donor/Acceptor

7 / 14

Complexity

1060

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CEFCAPENE PIVOXIL HYDROCHLORIDE HYDRATE [WHO-DD]
UNII-V16A6AYI9H
Cefcapene pivoxil hydrochloride hydrate (JP17)
CS-W020762
CEFCAPENE PIVOXIL HYDROCHLORIDE HYDRATE [JAN]
Cefcapene pivoxil hydrochloride
CCG-270257
2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrate;hydrochloride
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(((AMINOCARBONYL)OXY)METHYL)-7-(((2Z)-2-(2-AMINO-4-THIAZOLYL)-1-OXO-2-PENTEN-1-YL)AMINO)-8-OXO-, (2,2-DIMETHYL-1-OXOPROPOXY)METHYL ESTER, HYDROCHLORIDE, HYDRATE (1:1:1), (6R,7R)-
147816-24-8
J01DD17
S-1108
CEFCAPENE PIVOXIL HYDROCHLORIDE HYDRATE [MI]
Flomox (TN)
SCHEMBL4755909
Cefcapenepivoxil hydrochloride
AKOS025310133
CHEMBL4303585
S 1108
V16A6AYI9H
CEFCAPENE PIVOXIL MONOHYDROCHLORIDE MONOHYDRATE
CFPN-PI
Cefcapene pivoxil HCl H2O
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 3-(((AMINOCARBONYL)OXY)METHYL)-7-((2-(2-AMINO-4-THIAZOLYL)-1-OXO-2- PENTENYL)AMINO)-8-OXO-, (2,2-DIMETHYL-1-OXOPROPOXY)METHYL ESTER,(6R- (6-.ALPHA.,7-.BETA.(Z)))-, MONOHYDROCHLORIDE, HYDRATE
J-700157
PIVALOYLOXYMETHYL (+)-(6R,7R)-7-((Z)-2-(2-AMINO-4-THIAZOLYL)-2-PENTENAMIDO)-3-(HYDROXYMETHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID CARBAMATE MONOHYDROCHLORIDE MONOHYDRATE
D01680
(6R,7R)-(Pivaloyloxy)methyl7-((Z)-2-(2-aminothiazol-4-yl)pent-2-enamido)-3-((carbamoyloxy)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatehydrochloridehydrate
BCP12048
MFCD01682041
Q27291405

MDL Number

MFCD01682041

Customs Code

2941905990

FAQ

What is [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentenoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride hydrate (CAS: 147816-24-8)?

This compound is a complex organic molecule, a hydrate of a hydrochloride salt. It features a 6-membered azabicyclic ring, a thiazole ring, and a carboxylic acid group, making it suitable for various pharmaceutical and industrial applications.

What are the main uses of [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentenoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride hydrate (CAS: 147816-24-8)?

This compound is primarily used in pharmaceutical research and development, particularly for its potential in treating certain diseases through its unique chemical structure and biological activity.

Is [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentenoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride hydrate (CAS: 147816-24-8) safe?

The compound is generally considered safe, but it is important to follow strict safety guidelines, including proper handling, storage, and disposal procedures, to avoid potential skin or respiratory irritation. Ensure proper ventilation and use protective equipment when handling.

How should [(2,2-Dimethylpropanoyl)oxy]methyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-pentenoyl]amino}-3-[(carbamoyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride hydrate (CAS: 147816-24-8) be stored?

Store the compound in a cool, dry place away from direct sunlight. Keep it in a tightly sealed container to maintain its stability. Avoid exposure to moisture and high temperatures to prevent degradation. Store in a secure location and ensure it is kept away from flammable materials.