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Substance Name: 2'-Chloroetoposide
RN: 138261-30-0
InChIKey: DZMCFYWOYIRWSO-LBBLGMBRSA-N

Molecular Formula

  • C29-H31-Cl-O13

Molecular Weight

  • 623.0039
 
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Names and Synonyms

Name of Substance

  • 2'-Chloroetoposide

Synonym

  • (5S-(5alpha,5abeta,8aalpha,9beta(S*)))-5-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydrofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one

Systematic Name

  • Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-ethylidene-beta-D-glucopyranosyl)oxy)-5,8,8A,9-tetrahydro-, (5S-(5alpha,5abeta,8aalpha,9beta(S*)))-

Registry Numbers

CAS Registry Number

  • 138261-30-0

System Generated Number

  • 0138261300

Structure Descriptors

InChI

1S/C29H31ClO13/c1-10-37-8-18-26(41-10)23(32)24(33)29(42-18)43-25-12-5-16-15(39-9-40-16)4-11(12)19(20-14(25)7-38-28(20)34)13-6-17(35-2)22(31)27(36-3)21(13)30/h4-6,10,14,18-20,23-26,29,31-33H,7-9H2,1-3H3/t10-,14+,18-,19+,20+,23-,24-,25-,26-,29+/m1/s1

InChIKey

DZMCFYWOYIRWSO-LBBLGMBRSA-N

Smiles

C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7Cl)OC)O)OC)OCO5)O)O