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Details

Stereochemistry ABSOLUTE
Molecular Formula C43H51NO15
Molecular Weight 821.8644
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RPR-111059

SMILES

CC1=C2[C@]([H])(C(=O)[C@]3(C)[C@]([H])(C[C@]4([H])[C@@](CO4)([C@@]3([H])[C@@]([H])([C@](C[C@]1([H])OC(=O)[C@@]([H])([C@]([H])(c5ccccc5)N6[C@@]([H])(C(C)(C)OC6=O)O)O)(C2(C)C)O)OC(=O)c7ccccc7)OC(=O)C)O)O

InChI

InChIKey=MZGHWPNTSVYFCV-SMTGUGMOSA-N
InChI=1S/C43H51NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,37,46-48,52,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,37+,41+,42-,43+/m0/s1

HIDE SMILES / InChI

Molecular Formula C43H51NO15
Molecular Weight 821.8644
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:41:58 UTC 2021
Edited
by admin
on Sat Jun 26 07:41:58 UTC 2021
Record UNII
27K6GL8M1V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RPR-111059
Common Name English
3-OXAZOLIDINEPROPANOIC ACID, .ALPHA.,4-DIHYDROXY-5,5-DIMETHYL-2-OXO-.BETA.-PHENYL-, (2AR,4S,4AS,6R,9S,11S,12S,12AR,12BS)-12B-(ACETYLOXY)-12-(BENZOYLOXY)-2A,3,4,4A,5,6,9,10,11,12,12A,12B-DODECAHYDRO-4,6,11-TRIHYDROXY-4A,8,13,13-TETRAMETHYL-5-OXO-7,11-METH
Systematic Name English
DOCETAXEL M1&M2, R-
Common Name English
Code System Code Type Description
CAS
157067-33-9
Created by admin on Sat Jun 26 07:41:58 UTC 2021 , Edited by admin on Sat Jun 26 07:41:58 UTC 2021
PRIMARY
PUBCHEM
91800071
Created by admin on Sat Jun 26 07:41:58 UTC 2021 , Edited by admin on Sat Jun 26 07:41:58 UTC 2021
PRIMARY
FDA UNII
27K6GL8M1V
Created by admin on Sat Jun 26 07:41:58 UTC 2021 , Edited by admin on Sat Jun 26 07:41:58 UTC 2021
PRIMARY
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