BGC > Product Search > Tacrolimus 1-hydrate

Molecular Formula: C44H69NO12.H2O
Molecular Weight: 822,03

Molecular Formula: C44H69NO12.H2O
Molecular Weight: 822,03

Description :
Tacrolimus monohydrate is a potent immunosuppressive drug often administered to transplant recipient patients and exhibits a variety of adverse cardiovascular effects.

• Molecular Weight :822.03
• Melting Point :119-131°C
• Purity :> 98%

Molecular Formula :
C44H71NO13
Canonical SMILES :
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC.O
InChI :
InChI=1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1
InChIKey :
NWJQLQGQZSIBAF-MLAUYUEBSA-N
Solubility :
Soluble in Chloroform, DMSO, Methanol
Appearance :
White to Off-white Solid
Storage : -20°C
Synonyms :
Tacrolimus Hydrate; Tsukubaenolide hydrate; (3S,​4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine​-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-hydrate

More details are to be found here

Description :
Tacrolimus monohydrate is a potent immunosuppressive drug often administered to transplant recipient patients and exhibits a variety of adverse cardiovascular effects.

• Molecular Weight :822.03
• Melting Point :119-131°C
• Purity :> 98%

Molecular Formula :
C44H71NO13
Canonical SMILES :
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC.O
InChI :
InChI=1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1
InChIKey :
NWJQLQGQZSIBAF-MLAUYUEBSA-N
Solubility :
Soluble in Chloroform, DMSO, Methanol
Appearance :
White to Off-white Solid
Storage : -20°C
Synonyms :
Tacrolimus Hydrate; Tsukubaenolide hydrate; (3S,​4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine​-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-hydrate

More details are to be found here

Description :
Tacrolimus monohydrate is a potent immunosuppressive drug often administered to transplant recipient patients and exhibits a variety of adverse cardiovascular effects.

• Molecular Weight :822.03
• Melting Point :119-131°C
• Purity :> 98%

Molecular Formula :
C44H71NO13
Canonical SMILES :
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC.O
InChI :
InChI=1S/C44H69NO12.H2O/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7;/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3;1H2/b25-19+,27-21+;/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+;/m0./s1
InChIKey :
NWJQLQGQZSIBAF-MLAUYUEBSA-N
Solubility :
Soluble in Chloroform, DMSO, Methanol
Appearance :
White to Off-white Solid
Storage : -20°C
Synonyms :
Tacrolimus Hydrate; Tsukubaenolide hydrate; (3S,​4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine​-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-hydrate

More details are to be found here