Disodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-5,6-dihydro-2H-1,2,4-triazin-1-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct -2-ene-2-carboxylate | CAS No. 104376-79-6

Basic Information

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CAS Number

104376-79-6

Molecular Formula

C18H16N8Na2O7S3

Molecular Weight

1323.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Melting Point

236°C

Boiling Point

307.9±35.0 °C at 760 mmHg

Density

1.1±0.1 g/cm3

Water Solubility

Freely soluble in water

Flash Point

140.0±25.9 °C

Solubility

H2O: soluble50mg/mL

Refractive Index

-160 ° (C=1, H2O)

Vapor Pressure

0.0±0.7 mmHg at 25°C

Specific Rotation

D25 -165° (c = 1 in water) (calc for water-free substance)

SMILES

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CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H18N8O7S3.2Na/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;/h5,9,15H,3-4H2,1-2H3,(H5,19,20,21,23,27,29,31,32);;/q;2*+1/p-2/b24-8-;;/t9-,15-;;/m1../s1

InChIKey

LTFQVRWXHBGEMZ-BBJOQENWSA-L

LogP

-1.18550

pKa

~3 (COOH), 3.2 (NH3+), 4.1 (enolic OH)

Complexity

1120

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 in male, female, mice, rats (mg/kg): 3000, 2800, 2175, 2175 i.v.; >10000 all species orally; >5000 all species s.c. (Teelman)

Synonyms & References

English

CTRX
NCGC00263961-02
Ceftriaxone sodium sesquaterhydrate
Ceftriaxone sodium (USP)
(6R,7R)-7-(2-(2-AMINO-4-THIAZOLYL)GLYOXYLAMIDO)-8-OXO-3-(((1,2,5,6-TETRAHYDRO-2-METHYL-5,6-DIOXO-AS-TRIAZIN-3-YL)THIO)METHYL)-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7SUP(2)-(Z)-(O-METHYLOXIME), DISODIUM SALT, SESQUATERHYDRATE
1ST10010NaW
Tox21_111386_1
CEFTRIAXONE SODIUM HYDRATE [JAN]
Rocephin
CEFTRIAXONE SODIUM
Ceftriaxone disodium salt hemiheptahydrate
104376-79-6
Ro-13-9904/001
CEFTRIAXONE SODIUM [USP-RS]
Tox21_111386
023Z5BR09K
Ro 13-9904
DTXSID5045887
AKOS040733860
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-, disodium salt, (6R-(6alpha,7beta(Z)))-, hydrate (2:7)
CEFTRIAXONE SODIUM [MART.]
Rocefin
CEFTRIAXONE (AS DISODIUM HEMIHEPTAHYDRATE)
CEFTRIAXONE SODIUM [USAN]
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-, disodium salt, hydrate (2:7), (6R,7R)-
Ceftriaxone sodium [USAN:USP:JAN]
Ceftriaxone (as sodium)
Ceftriaxone sodium hydrate
ROCEPHIN KIT COMPONENT CEFTRIAXONE SODIUM
CEFTRIAXONE SODIUM COMPONENT OF ROCEPHIN KIT
CEFTRIAXONE SODIUM [USP MONOGRAPH]

MDL Number

MFCD01750405

Customs Code

3004909090

FAQ

What is Disodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-5,6-dihydro-2H-1,2,4-triazin-1-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 104376-79-6)?

Disodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-5,6-dihydro-2H-1,2,4-triazin-1-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 104376-79-6) is a complex organic compound with a unique molecular structure. It contains multiple functional groups, including amino, thiazol, methoxyimino, and sulfanyl moieties, and is typically used in specialized applications. Its chemical formula is C15H16N8O8S2Na2, and it is known for its stability under controlled conditions.

What are the main uses of Disodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-5,6-dihydro-2H-1,2,4-triazin-1-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 104376-79-6)?

This compound is primarily used in pharmaceutical research, particularly in the development of antibiotics and antifungal agents. It is also found in industrial applications involving chemical synthesis and may be used as a research reagent in biochemistry and medicinal chemistry. Due to its complex structure, it is often studied for its potential therapeutic properties and biochemical interactions.

Is Disodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-5,6-dihydro-2H-1,2,4-triazin-1-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 104376-79-6) safe?

The safety of Disodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-5,6-dihydro-2H-1,2,4-triazin-1-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 104376-79-6) depends on its application. It is generally considered safe in controlled laboratory settings, but proper handling is required to avoid exposure. Safety data sheets (SDS) should be consulted for specific guidelines, and it is important to follow standard chemical safety protocols when working with this compound.

How should Disodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-5,6-dihydro-2H-1,2,4-triazin-1-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 104376-79-6) be stored?

Disodium (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-5,6-dihydro-2H-1,2,4-triazin-1-id-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 104376-79-6) should be stored in a cool, dry, and dark place, away from moisture and light. It is recommended to keep it in a sealed container at a temperature below 25°C. Proper storage helps maintain its chemical stability and prolongs its shelf life.