Teniposide

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CAS Number

29767-20-2

Synonyms

(5S,5aR,8aR,9R) -5-[[ (2R,4aR,6R,7R,8R,8aS) -7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9- (4-hydroxy-3,5-dimethoxyphenyl) -5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Purity

98%

Smiles

COC1=CC (=CC (=C1O) OC) [C@H]2[C@@H]3[C@H] (COC3=O) [C@@H] (C4=CC5=C (C=C24) OCO5) O[C@H]6[C@@H] ([C@H] ([C@H]7[C@H] (O6) CO[C@H] (O7) C8=CC=CS8) O) O

Chemical Information

Teniposide

Teniposide can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	29767-20-2
PubChem CID	452548
IUPAC Name	(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Molecular Formula	C32H32O13S
Molecular Weight	656.7
XLogP	1.2
Topological Polar Surface Area	189
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Heavy Atom Count	46
Formal Charge	0
Complexity	1090

SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C8=CC=CS8)O)O

InChI

InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1

InChIKey

NRUKOCRGYNPUPR-QBPJDGROSA-N

Chemical Structure

2D Structure

CAS: 29767-20-2

CID: 452548

Formula: C32H32O13S

MW: 656.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	656.7
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Exact Mass	656.15636224
Monoisotopic Mass	656.15636224
Topological Polar Surface Area	189 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1090
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
S1787-10mM/1mL	Teniposide

Teniposide

Chemical Information

Alternative Products

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