U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H34O14
Molecular Weight 606.5719
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETOPOSIDE HYDROXY ACID, TRANS-

SMILES

[H][C@@]5(O[C@H]1[C@@H](CO)[C@@H]([C@H](C2=CC(OC)=C(O)C(OC)=C2)C3=CC4=C(OCO4)C=C13)C(O)=O)O[C@]6([H])CO[C@@H](C)O[C@@]6([H])[C@H](O)[C@H]5O

InChI

InChIKey=IRWMJBVWHXLXJX-MRVIYFEKSA-N
InChI=1S/C29H34O14/c1-11-38-9-20-27(41-11)24(32)25(33)29(42-20)43-26-14-7-17-16(39-10-40-17)6-13(14)21(22(28(34)35)15(26)8-30)12-4-18(36-2)23(31)19(5-12)37-3/h4-7,11,15,20-22,24-27,29-33H,8-10H2,1-3H3,(H,34,35)/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H34O14
Molecular Weight 606.5719
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:46:13 GMT 2023
Edited
by admin
on Sat Dec 16 08:46:13 GMT 2023
Record UNII
AS9U988B9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETOPOSIDE HYDROXY ACID, TRANS-
Common Name English
4'-DEMETHYLEPIPODOPHYLLIC ACID-9-(4,6-O-(R)-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSIDE)
Common Name English
NAPHTHO(2,3-D)-1,3-DIOXOLE-6-CARBOXYLIC ACID, 8-((4,6-O-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,6,7,8-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-7-(HYDROXYMETHYL)-, (5R-(5.ALPHA.,6.ALPHA.,7.BETA.,8.BETA.(R*)))
Systematic Name English
Code System Code Type Description
CAS
89269-95-4
Created by admin on Sat Dec 16 08:46:13 GMT 2023 , Edited by admin on Sat Dec 16 08:46:13 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
172138-89-5
Created by admin on Sat Dec 16 08:46:13 GMT 2023 , Edited by admin on Sat Dec 16 08:46:13 GMT 2023
PRIMARY
PUBCHEM
156596532
Created by admin on Sat Dec 16 08:46:13 GMT 2023 , Edited by admin on Sat Dec 16 08:46:13 GMT 2023
PRIMARY
FDA UNII
AS9U988B9E
Created by admin on Sat Dec 16 08:46:13 GMT 2023 , Edited by admin on Sat Dec 16 08:46:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA; URINE