THC Science

Larotaxel
Clinical data
ATC code	none;
Identifiers
	IUPAC name (2α,5β,7β,10β,13α)-4,10-Diacetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate;
CAS Number	156294-36-9 ;
PubChem CID	6918260;
ChemSpider	5293466 ;
UNII	TWQ8K8A81Y;
CompTox Dashboard (EPA)	DTXSID60935420 ;
Chemical and physical data
Formula	C45H53NO14
Molar mass	831.912 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=C2[C@H](C(=O)[C@]34C[C@H]3C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)OC(C)(C)C)O)O)OC(=O)c7ccccc7)(CO5)OC(=O)C)OC(=O)C;
	InChI InChI=1S/C45H53NO14/c1-23-29(57-39(52)33(49)32(26-15-11-9-12-16-26)46-40(53)60-41(4,5)6)21-45(54)37(58-38(51)27-17-13-10-14-18-27)35-43(36(50)34(56-24(2)47)31(23)42(45,7)8)20-28(43)19-30-44(35,22-55-30)59-25(3)48/h9-18,28-30,32-35,37,49,54H,19-22H2,1-8H3,(H,46,53)/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-/m1/s1; Key:DXOJIXGRFSHVKA-BZVZGCBYSA-N;
	(what is this?) (verify)

Larotaxel (code names XRP9881, RPR109881) is a drug of the taxane type that has been used experimentally in chemotherapy.^[1]

References[edit]

Clinical data

ATC code	none
Identifiers
IUPAC name (2α,5β,7β,10β,13α)-4,10-Diacetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-9-oxo-5,20-epoxy-7,19-cyclotax-11-en-2-yl benzoate
CAS Number	156294-36-9^Y
PubChem CID	6918260
ChemSpider	5293466^N
UNII	TWQ8K8A81Y
CompTox Dashboard (EPA)	DTXSID60935420
Chemical and physical data
Formula	C₄₅H₅₃NO₁₄
Molar mass	831.912 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1=C2[C@H](C(=O)[C@]34C[C@H]3C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)OC(C)(C)C)O)O)OC(=O)c7ccccc7)(CO5)OC(=O)C)OC(=O)C
InChI InChI=1S/C45H53NO14/c1-23-29(57-39(52)33(49)32(26-15-11-9-12-16-26)46-40(53)60-41(4,5)6)21-45(54)37(58-38(51)27-17-13-10-14-18-27)35-43(36(50)34(56-24(2)47)31(23)42(45,7)8)20-28(43)19-30-44(35,22-55-30)59-25(3)48/h9-18,28-30,32-35,37,49,54H,19-22H2,1-8H3,(H,46,53)/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-/m1/s1 Key:DXOJIXGRFSHVKA-BZVZGCBYSA-N
^NY (what is this?) (verify)