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CAS 104376-79-6 Ceftriaxone Disodium Salt Hemiheptahydrate molecular structure lightbox
CAS RN: 104376-79-6

Ceftriaxone Disodium Salt Hemiheptahydrate

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250207 100g In stock Inquiry
Batchno.20250117 1g In stock Inquiry
Batchno.20260617 25g In stock Inquiry
Batchno.20251104 500g In stock Inquiry
Batchno.20250320 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250128 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 1ml In stock Shanghai Inquiry
  • Product code: SSC-006143
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104376-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

104376-79-6 / tetrasodium;bis((6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate);heptahydrate

Disodium;(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C2226

Standard CAS: 104376-79-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104376-79-6
Multi CAS
Yes
Molecular Formula
C36H46N16Na4O21S6
Molecular Weight
1323.200000
Exact Mass
1322.093847
SMILES
CN1N=C(C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-])[O-].CN1N=C(C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-])[O-].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/2C18H18N8O7S3.4Na.7H2O/c2*1-25-18(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;;;;;;;;;;;/h2*5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;;;;7*1H2/q;;4*+1;;;;;;;/p-4/b2*24-8-;;;;;;;;;;;/t2*9-,15-;;;;;;;;;;;/m11.........../s1
InChIKey
KTAVBOYXMBQFGR-MAODNAKNSA-J
Synonyms
Disodium;(6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate C2226

Computed Properties

Structural Parameters

Heavy atom count
83
Aromatic heavy atom count
22
Fraction Csp3
0.33
Rotatable bonds
16
H-bond acceptors
32
H-bond donors
4
Molar refractivity
274.44
TPSA
662.26

LogP / Solubility

WLOGP
-24.09
MLOGP
-21.06
XLogP3
-24.09
Consensus LogP
-23.08
Log S (ESOL)
7.99
Class (ESOL)
Highly soluble
Log S (Ali)
6.98
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.81
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-27.89

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H315 (94.8%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (94.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (91.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H335 (93%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501

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