Chemistry:Ortataxel

Ortataxel
Clinical data
ATC code	none;
Identifiers
	IUPAC name (3aS,4R,7R,8aS,9S,10aR,12aS,13S,13aS)-7,12a-bis(acetyloxy)-4-({(2R,3S)-3-[tert-butoxycarbonyl)amino]-2-hydroxy-5-methylhexanoyl}oxy)-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahydro-6,13a-methano[1,3]dioxolo[8,9]cyclodeca[1,2-d][1]benzoxet-13-yl benzoate;
CAS Number	186348-23-2 ;
PubChem CID	10557575;
ChemSpider	5293609;
UNII	8H61Y4E29N;
Chemical and physical data
Formula	C44H57NO17
Molar mass	871.930 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]5(C2(C)C)[C@H]([C@@H]1OC(=O)[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C;
	InChI InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20,25-27,29-32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,42+,43-,44+/m0/s1; Key:BWKDAMBGCPRVPI-ZQRPHVBESA-N;
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Ortataxel is a drug used in chemotherapy. (As of June 2009), Spectrum Pharmaceuticals has the drug in a Phase 2 clinical trial.

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Original source: https://en.wikipedia.org/wiki/Ortataxel. Read more

Anonymous

Clinical data

ATC code	none
Identifiers
IUPAC name (3aS,4R,7R,8aS,9S,10aR,12aS,13S,13aS)-7,12a-bis(acetyloxy)-4-({(2R,3S)-3-[tert-butoxycarbonyl)amino]-2-hydroxy-5-methylhexanoyl}oxy)-9-hydroxy-5,8a,14,14-tetramethyl-2,8-dioxo-3a,4,7,8,8a,9,10,10a,12,12a,12b,13-dodecahydro-6,13a-methano[1,3]dioxolo[8,9]cyclodeca[1,2-d][1]benzoxet-13-yl benzoate
CAS Number	186348-23-2^Y
PubChem CID	10557575
ChemSpider	5293609
UNII	8H61Y4E29N
Chemical and physical data
Formula	C₄₄H₅₇NO₁₇
Molar mass	871.930 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]5(C2(C)C)[C@H]([C@@H]1OC(=O)[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)OC(=O)O5)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C
InChI InChI=1S/C44H57NO17/c1-20(2)17-25(45-38(53)61-40(6,7)8)29(49)37(52)57-30-21(3)28-31(56-22(4)46)33(50)42(11)26(48)18-27-43(19-55-27,60-23(5)47)32(42)35(58-36(51)24-15-13-12-14-16-24)44(41(28,9)10)34(30)59-39(54)62-44/h12-16,20,25-27,29-32,34-35,48-49H,17-19H2,1-11H3,(H,45,53)/t25-,26-,27+,29+,30+,31+,32-,34-,35-,42+,43-,44+/m0/s1 Key:BWKDAMBGCPRVPI-ZQRPHVBESA-N
(verify)