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Chemical structure of Tacrolimus monohydrate

GC17995

Tacrolimus monohydrate

Also known as (1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;hydrate

Tacrolimus monohydrate (catalogue number GC17995) is a research-grade chemical available from LABO Scientific in Israel, CAS registry number 109581-93-3. Molecular formula C44H71NO13, molecular weight 822.03. IUPAC name: (1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;hydrate. Supplied in 5 pack sizes, from 50mg at ₪187.63 to 1g at ₪1,146.18; the final price is confirmed on your quote, and the lot certificate of analysis and safety data sheet are emailed with your order confirmation.

ChemicalCAS109581-93-3MW822.03FormulaC44H71NO13
CAS number
109581-93-3
Molecular weight
822.03
Formula
C44H71NO13
Solubility
DMSO ： 100 mg/mL (121·65 mM; Need ultrasonic); H2O ： < 0·1 mg/mL (insoluble)
InChIKey
NWJQLQGQZSIBAF-SOFZWBTHSA-N
Catalogue number
GC17995
Brand
GLPBIO
Computed properties PubChem CID 60348 · TPSA 179 Ų · H-bond donors 4 · H-bond acceptors 13
TPSA
179 Ų
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
7
Heavy atoms
58

SMILES C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)C)CC=C)O)C)C(=CC4CC[C@H]([C@@H](C4)OC)O)C)O)C)OC)OC.O

Computed descriptors from PubChem (CID 60348), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.