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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H37NO12
Molecular Weight 615.625
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NK-611 FREE ACID

SMILES

[H][C@]12COC(=O)[C@]1([H])[C@H](C3=CC(OC)=C(O)C(OC)=C3)C4=CC5=C(OCO5)C=C4[C@H]2O[C@]6([H])O[C@]7([H])CO[C@@H](C)O[C@@]7([H])[C@H](O)[C@H]6N(C)C

InChI

InChIKey=ZKSNZYLCOXUJIR-VOKUKXJJSA-N
InChI=1S/C31H37NO12/c1-13-38-11-22-29(42-13)27(34)25(32(2)3)31(43-22)44-28-16-9-19-18(40-12-41-19)8-15(16)23(24-17(28)10-39-30(24)35)14-6-20(36-4)26(33)21(7-14)37-5/h6-9,13,17,22-25,27-29,31,33-34H,10-12H2,1-5H3/t13-,17+,22-,23-,24+,25-,27-,28-,29-,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H37NO12
Molecular Weight 615.625
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 16:18:25 GMT 2023
Edited
by admin
on Sat Dec 16 16:18:25 GMT 2023
Record UNII
VLN3VGF679
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NK-611 FREE ACID
Code English
NK 611 FREE ACID
Code English
FURO(3',4':6,7)NAPHTHO(2,3-D)-1,3-DIOXOL-6(5AH)-ONE, 9-((2-DEOXY-2-(DIMETHYLAMINO)-4,6-O-(1R)-ETHYLIDENE-.BETA.-D-GLUCOPYRANOSYL)OXY)-5,8,8A,9-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R,5AR,8AR,9S)-
Systematic Name English
2'-DIMETHYLAMINO-2'-DEOXYETOPOSIDE
Common Name English
VP-19
Code English
VP 19
Code English
Code System Code Type Description
PUBCHEM
6917988
Created by admin on Sat Dec 16 16:18:25 GMT 2023 , Edited by admin on Sat Dec 16 16:18:25 GMT 2023
PRIMARY
CAS
105655-99-0
Created by admin on Sat Dec 16 16:18:25 GMT 2023 , Edited by admin on Sat Dec 16 16:18:25 GMT 2023
PRIMARY
FDA UNII
VLN3VGF679
Created by admin on Sat Dec 16 16:18:25 GMT 2023 , Edited by admin on Sat Dec 16 16:18:25 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT