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Details

Stereochemistry ABSOLUTE
Molecular Formula C46H56N4O9
Molecular Weight 808.9582
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-DEOXYLEUROCRISTINE

SMILES

[H][C@@]12N3CC[C@@]14C5=C(C=C(OC)C(=C5)[C@]6(C[C@H]7C[N@](C[C@]([H])(CC)C7)CCC8=C6NC9=CC=CC=C89)C(=O)OC)N(C=O)[C@@]4([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC

InChI

InChIKey=KLFUUCHXSFIPMH-XAYRGYGFSA-N
InChI=1S/C46H56N4O9/c1-7-28-20-29-23-45(41(53)57-5,37-31(14-18-48(24-28)25-29)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)56-4)50(26-51)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(59-27(3)52)46(39,55)42(54)58-6/h9-13,15,21-22,26,28-29,38-40,47,55H,7-8,14,16-20,23-25H2,1-6H3/t28-,29+,38+,39-,40-,43-,44-,45+,46+/m1/s1

HIDE SMILES / InChI

Molecular Formula C46H56N4O9
Molecular Weight 808.9582
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:46:52 UTC 2023
Edited
by admin
on Sat Dec 16 18:46:52 UTC 2023
Record UNII
6XU5ZX7TRP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-DEOXYLEUROCRISTINE
Common Name English
4'-DEOXYVINCRISTINE
Common Name English
VINCRISTINE SULFATE IMPURITY B [EP IMPURITY]
Common Name English
METHYL (3AR,4R,5S,5AR,10BR,13AR)-4-(ACETYLOXY)-3A-ETHYL-9-((5R,7S,9S)-5-ETHYL-9-(METHOXYCARBONYL)-1,4,5,6,7,8,9,10-OCTAHYDRO-2H-3,7-METHANOAZACYCLOUNDECINO(5,4-B)INDOL-9-YL)-6-FORMYL-5-HYDROXY-8-METHOXY-3A,4,5,5A,6,11,12,13A-OCTAHYDRO-1H-INDOLIZINO(8,1-C
Systematic Name English
VINCALEUKOBLASTINE, 4'-DEOXY-22-OXO-
Systematic Name English
Code System Code Type Description
FDA UNII
6XU5ZX7TRP
Created by admin on Sat Dec 16 18:46:52 UTC 2023 , Edited by admin on Sat Dec 16 18:46:52 UTC 2023
PRIMARY
PUBCHEM
131883303
Created by admin on Sat Dec 16 18:46:52 UTC 2023 , Edited by admin on Sat Dec 16 18:46:52 UTC 2023
PRIMARY
CAS
68135-16-0
Created by admin on Sat Dec 16 18:46:52 UTC 2023 , Edited by admin on Sat Dec 16 18:46:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID70601962
Created by admin on Sat Dec 16 18:46:52 UTC 2023 , Edited by admin on Sat Dec 16 18:46:52 UTC 2023
PRIMARY
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EP