AG0039L0

104987-11-3 | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-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)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone

AG0039L0

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	104987-11-3
Catalog Number	AG0039L0(AGN-PC-0OU33J)
Chemical Name	(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-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)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone
IUPAC Name	(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,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
InChI	InChI=1S/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 Key	QJJXYPPXXYFBGM-LFZNUXCKSA-N
MDL Number	MFCD00869853
Molecular Formula	C44H69NO12
Molecular Weight	804.0182
NSC Number	758659
SMILES	O[C@H]1[C@H](OC)C[C@H](/C=C(C(OC([C@@H]2CCCCN2C3=O)=O)[C@H](C)[C@@H](O)CC([C@H](CC=C)/C=C(C)/C[C@H](C)C[C@H](OC)[C@](O4)([H])[C@@H](OC)C[C@@H](C)[C@]4(O)C3=O)=O)C)CC1
UNII	Y5L2157C4J
Synonyms	Anhydrous Tacrolimus, Anhydrous, Tacrolimus, FK 506, FK-506, FK506, FR 900506, FR-900506, FR900506, Prograf, Prograft, Tacrolimus, Tacrolimus Anhydrous, Tacrolimus, Anhydrous, tacrolimus, 104987-11-3, Prograf, Protopic, Fujimycin, Tsukubaenolide, FK506, Tacrolimus anhydrous, Modigraf, Protopy, LCP-Tacro, Fk-506, FK 506, Anhydrous Tacrolimus, tacrolimus (fk506), FR-900506, Advagraf, 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, UNII-Y5L2157C4J, K506, Astagraf XL, (-)-FK 506, Prograf (TN), FR900506, Tacarolimus, CHEMBL269732, CHEBI:61049, FR 900506, Y5L2157C4J, MFCD11045918, FK5, 109581-93-3, Tacrolimus (anhydrous), NCGC00163470-03, Prograft, Tacrolimus [USAN], CCRIS 7124, Avagraf, Envarsus, Graceptor, L 679934, Envarsus XR, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-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)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)tetrone, Tacrolimus (INN), FK-506 (Tacrolimus), Tacrolimus, anhydrous, SR-05000001879, Tacrolimus [USAN:INN], Hecoria, Talymus, HSDB 8195, FK-506/Tacrolimus, PubChem18875, AC1L9IBU, SCHEMBL3088, DSSTox_CID_26354, DSSTox_RID_81557, DSSTox_GSID_46354, BSPBio_001279, CHEMBL66247, L-679934, GTPL6784, DTXSID5046354, CHEBI:93221, HMS503O21, QJJXYPPXXYFBGM-LFZNUXCKSA-N, C44H69NO12, HMS1792O21, HMS1990O21, HMS2093M19, HMS3403O21, Pharmakon1600-01503968, 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-(2-(4-hydroxy-3-methoxycyclohexyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-, EX-A1677, Tox21_112056, ABP000474, BDBM50030448, BDBM50079777, LMPK04000003, NSC758659, s5003, AKOS005145901, ZINC169289411, AC-1182, AM81227, AT-2441, CS-1507, DB00864, NSC-758659, IDI1_001040, NCGC00163470-01, NCGC00163470-02, NCGC00163470-04, NCGC00163470-05, NCGC00163470-06, NCGC00163470-07, BC205151, HY-13756, SC-13591, Fujimycin|||FK-506|||FR-900506, SBI-0052894.P002, AB0012538, CAS-104987-11-3, FT-0082660, M2258, C01375, D08556, EN300-221601, W-1246, AB01209746-01, AB01209746_03, 581T933, Q-201775, SR-05000001879-1, SR-05000001879-2, SR-05000001879-5, BRD-K35452788-001-02-1, BRD-K69608737-001-03-7, BRD-K69608737-001-10-2, [(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-, 15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23H)-tetrone,, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-{(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl}-14,16-dimethoxy-4,10,12,18-tetramethyl-8-prop-2-en-1-yl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone, (E)-(1R,9S,12S,13R,14R,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-[(E)-2-((3R,4R)-4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-aza-tricyclo[22.3.1.0*4,9*]octacos-18-ene-2,3,10,16-tetraone, 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-methoxycyc, 4,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-heptadecahydro-5,19-dihydroxy-3-, dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-,(3S,4R,5S,8R,12S,14S,15R,16S,18R,19R,26aS)-, lohexyl]-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,19R,26aS)-, Tacrolimus solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material, TacroBell, Tacrolimus hydrate, Advagraf (TN), Protopic (TN), Anhydrous, Tacrolimus, Tacrolimus (Prograf), D06OMK, TACROLIMUS MONOHYDRATE, Tacrolimus [USAN:BAN:INN], CID445643, C44-H69-N-O12, ACN-036876, CB10275, Tacrolimus, 98.5% - 10MG 10mg, B2143, D016559, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23H)-tetrone, 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-tet, 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-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-14 16-dimethoxy-4 10 12 18-tetramethyl-8-(2-pr, 15,19-epoxi-3h-pirido[2,1-c][1,4]oxaazaciclotricosina-1,7,20,21(4h,23h)-tetrona, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahidro-5,19-dihidroxi-3-[(1e)-2-[(1r,3r,4r)-4-hidroxi-3-metoxiciclohexil]-1-metiletenil]-14,16-dimetoxi-4,10,12,18-tetram, 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-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, monohydrate, (3S-(3R*(E(1S*,3S*,4S*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-, TAC,

Complexity	1480
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	14
Defined Bond Stereocenter Count	2
Exact Mass	803.482g/mol
Formal Charge	0
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	804.031g/mol
Monoisotopic Mass	803.482g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	178A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1648

Certificate of Analysis

Lot Number