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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H39NO9.ClH
Molecular Weight 582.082
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OMACETAXINE MEPESUCCINATE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12[C@H](OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)OC)C(OC)=C[C@@]13CCCN3CCC4=CC5=C(OCO5)C=C24

InChI

InChIKey=RRNSZQVHVKGKOS-CALFFDBBSA-N
InChI=1S/C29H39NO9.ClH/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28;/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3;1H/t24-,25-,28+,29-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C29H39NO9
Molecular Weight 545.6213
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:52:45 UTC 2023
Edited
by admin
on Fri Dec 15 15:52:45 UTC 2023
Record UNII
563OX5661H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OMACETAXINE MEPESUCCINATE HYDROCHLORIDE
Common Name English
CEPHALOTAXINE, 4-METHYL (2R)-2-HYDROXY-2-(4-HYDROXY-4-METHYLPENTYL)BUTANEDIOATE (ESTER), HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
457895-79-3
Created by admin on Fri Dec 15 15:52:45 UTC 2023 , Edited by admin on Fri Dec 15 15:52:45 UTC 2023
PRIMARY
PUBCHEM
9851264
Created by admin on Fri Dec 15 15:52:45 UTC 2023 , Edited by admin on Fri Dec 15 15:52:45 UTC 2023
PRIMARY
DRUG BANK
DBSALT001930
Created by admin on Fri Dec 15 15:52:45 UTC 2023 , Edited by admin on Fri Dec 15 15:52:45 UTC 2023
PRIMARY
FDA UNII
563OX5661H
Created by admin on Fri Dec 15 15:52:45 UTC 2023 , Edited by admin on Fri Dec 15 15:52:45 UTC 2023
PRIMARY
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