Tacrolimus Open Ring Impu­ri­ty CAS 144432-23-5

• Iden­ti­fi­ca­tion
• Prop­er­ties
• Safe­ty Data
• Spec­i­fi­ca­tions & Oth­er Information
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Iden­ti­fi­ca­tion

CAS Number

144432-23-5

Name

Tacrolimus Open Ring Impurity

Syn­onyms

(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,26aS)-8-Allyl-5,15,20,20-tetrahydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,11,12,13,14,15, 16,17,18,24,25,26,26a-tetradecahydro-3H-pyrido[2,1-c][1,4]oxazacyclotricosin-1,7,19,21(4H,8H,20H,23H)-tetron[German][ACD/IUPAC Name]
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,26aS)-8-Allyl-5,15,20,20-tetrahydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,11,12,13,14,15, 16,17,18,24,25,26,26a-tetradecahydro-3H-pyrido[2,1-c][1,4]oxazacyclotricosine-1,7,19,21(4H,8H,20H,23H)-tetrone[ACD/IUPAC Name]
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,26aS)-8-Allyl-5,15,20,20-tétrahydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-1-propén-2-yl}-14,16-diméthoxy-4,10,12,18-tétraméthyl-5,6,11,12,13,14,15, 16,17,18,24,25,26,26a-tétradécahydro-3H-pyrido[2,1-c][1,4]oxazacyclotricosine-1,7,19,21(4H,8H,20H,23H)-tétrone[French][ACD/IUPAC Name]
3H-Pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,19,21(4H,8H,20H,23H)-tetrone, 5,6,11,12,13,14,15,16,17,18,24,25,26,26a-tetradecahydro-5,15,20,20-tetrahydroxy-3-[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxy­cy­cl ohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,26aS)-[ACD/​Index Name]
OXA­CY­CLO­HEXA­NE OPEN RING TACROLIMUS

SMILES

C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@@H](O)[C@@H](OC)C[C@@H](C)C(=O)C(O)(O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)[C@@H](O)CC1=O

Std­InChI

InChI=1S/C44H71NO13/c1-10-13-31-19-25(2)18-26(3)20-37(56-8)39(49)38(57-9)22-28(5)41(50)44(53,54)43(52)45-17-12-11-14-32(45)42(51)58-40(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)55-7/h10,19,21,26,28-34,36-40,46-47,49,53-54H,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+/m0/s1

Std­InChIKey

NDOLMJWSFD­JWBE-SICK­­WUOOSA-N

Mol­e­c­u­lar Formula

C44H71NO13

Mol­e­c­u­lar Weight

822.046

Prop­er­ties

Appear­ance

White Sol­id

Safe­ty Data

RIDADR 

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Tacrolimus Open Ring Impu­ri­ty CAS 144432-23-5

Iden­ti­fi­ca­tion Methods

NMR, NMR,IR,HPLC

Puri­ty

97% min

THER­MAL ANALY­SIS (BY TGA)

1.15%

POTEN­CY (ON AS IS BASIS)

95.97%

Shelf Life

2 years

Stor­age

Store at 2~8 °C for long time, sealed and away from light.

Known Appli­ca­tion

Used as the Tacrolimus Open Ring Impurity

Gen­er­al View of Documents

Links

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd (https://​www​.cam​ing​.com/).

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