Disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 -carboxylate | CAS No. 74356-00-6

Basic Information

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CAS Number

74356-00-6

Molecular Formula

C17H15N7Na2O8S4

Molecular Weight

530.62 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

798℃

Density

2.07

Solubility

Freely soluble in aqueous solution

SMILES

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CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)[O-])S4)OC)SC2)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H17N7O8S4.2Na/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28;;/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30);;/q;2*+1/p-2/b12-6-;;/t13?,15-,17+;;/m1../s1

InChIKey

ZQQALMSFFARWPK-GLHLDKNHSA-L

LogP

-2.1869999999999967

Topological Polar Surface Area

185.45999999999998 Å²

Hydrogen Bond Donor/Acceptor

3 / 13

Complexity

1080

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

Toxicity

LD50 in male mice, rats (g/kg): 6.35, 8.48 i.v.; 8.12, 8.37 i.p.; >10 orally and s.c. both species (Imamura)

Synonyms & References

English

Cefotetan (disodium)
Cefotetan disodium (USP)
SCHEMBL40794
CEFOTETAN DISODIUM [VANDF]
Yamatetan
Apatef
Cefotetan disodium [USAN]
disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((4-(2-AMINO-1-CARBOXY-2-OXOETHYLIDENE)-1,3-DITHIETAN-2-YL)CARBONYL)AMINO)-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, DISODIUM SALT, (6R-(6.ALPHA.,7.ALPHA.))-
74356-00-6
(6R,7S)-7-(4-(Carbamoylcarboxymethylene)-1,3-dithietane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, disodium salt
Cefotetan sodium (JAN)
CEFOTETAN SODIUM [JAN]
CEFOTETAN DISODIUM [WHO-DD]
cefotetan sodium
D02228
CEFOTAN IN PLASTIC CONTAINER
CHEBI:34617
sodium (6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cefotetandisodium
CEFOTETAN DISODIUM [USP MONOGRAPH]
C-2473
CEFOTETAN DISODIUM [USP IMPURITY]
0GXP746VXB
Disodium(7R)-7-[[4-(carbamoyl-carboxylato-methylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Cefotetan disodium, Antibiotic for Culture Media Use Only
74356-00-6 (sodium)
Cefotan
Cefotetan disodium [USAN:USP]
YM 09330
Darvilen

MDL Number

MFCD00941449

FAQ

What is Disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 74356-00-6)?

Disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is a complex organic compound with a unique structure that includes a dithietan-2-yl moiety and a tetrazole derivative. It is characterized by its hydroxyl, methoxy, and carboxylate functional groups, making it a versatile molecule in various applications.

What are the main uses of Disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 74356-00-6)?

This compound is primarily used in pharmaceuticals for its potential in drug development, particularly in the research and synthesis of new drugs. It may also find applications in the chemical industry for its reactivity and stability, and in research for its unique structural features.

Is Disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 74356-00-6) safe?

Disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is generally considered safe under proper handling conditions. However, it should be used with caution due to its chemical complexity, and appropriate protective measures, such as gloves and goggles, should be taken during handling.

How should Disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 74356-00-6) be stored?

Disodium (6R,7S)-7-({[4-(2-amino-1-carboxylato-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate should be stored in a cool, dry place away from direct sunlight and heat. It is recommended to store it in a sealed container to prevent moisture absorption. Avoid exposure to extreme temperatures and keep it away from flammable materials to ensure safety during storage.