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Tacrolimus structure, CAS 104987-11-3

Tacrolimus

CAS Number104987-11-3

SynonymsAdvagraf; (-)-Tacrolimus; Sunitinib---free base; (-)-FK 506; Sutent-d4; MFCD00869853; Tacrolimus; Suniti; FK-506; Prograf; SUNITINIB-D4; SUNITINIB BASE; SUNITINIB MALEATE

Molecular FormulaC44H69NO12

Molecular Weight804.02

Purity98%

Density1.2±0.1 g/cm3

Boiling Point871.7±75.0 °C at 760 mmHg

Melting Point113-115°C

Flash Point

Appearanceliquid

EINECS

MSDSChineseEnglish

Symbol6.1

Signal WordWarning

Cat. No.: 2A-9012563 Purity: 98%
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Quality Control of [ 104987-11-3 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number104987-11-3
Catalog No.2A-9012563
Chinese Name他克莫司
SynonymsAdvagraf; (-)-Tacrolimus; Sunitinib---free base; (-)-FK 506; Sutent-d4; MFCD00869853; Tacrolimus; Suniti; FK-506; Prograf; SUNITINIB-D4; SUNITINIB BASE; SUNITINIB MALEATE
Molecular FormulaC44H69NO12
Molecular Weight804.02
Purity98
Density1.2±0.1 g/cm3
Boiling Point871.7±75.0 °C at 760 mmHg
Melting Point113-115°C
Appearanceliquid
Water SolubilityDMSO: >3 mg/mL
Storage ConditionSealed in a cool, dry environment at -20 ºC
ApplicationTacrolimus is a macrolide with potent immunosuppressive properties. Tacrolimus binds to FK506-binding protein (FKBP) to form a complex and inhibits calcineurin phosphatase.
PubChem ID329826607
MDL NumberMFCD00869853
SMILESCO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)OC)[C@H](C[C@H]4C)OC
InChI1S/C44H69NO12/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/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
InChI KeyQJJXYPPXXYFBGM-LFZNUXCKSA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbols6.1
MSDSmsds/12563_1_104987_11_3.pdf
Transport InfoProduct Name: Tacrolimus
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