Elomotecan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H32ClN3O4
Molecular Weight	522.035
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@]1(O)CC(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(Cl)C(C)=CC5=C4CN6CCC(C)CC6)C2=O

InChI

InChIKey=KAQREZSTQZWNAG-GDLZYMKVSA-N

InChI=1S/C29H32ClN3O4/c1-4-29(36)12-26(34)37-15-21-22(29)10-25-27-20(14-33(25)28(21)35)19(13-32-7-5-16(2)6-8-32)18-9-17(3)23(30)11-24(18)31-27/h9-11,16,36H,4-8,12-15H2,1-3H3/t29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H32ClN3O4
Molecular Weight	522.035
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:03:22 UTC 2023` Edited by `admin` on `Sat Dec 16 16:03:22 UTC 2023`
Record UNII	44KA9Q75GT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Elomotecan

Official Name

English

elomotecan [INN]

Common Name

English

(5R)-9-CHLORO-5-ETHYL-5-HYDROXY-10-METHYL-12-((4-METHYLPIPERIDIN-1-YL)METHYL)-1,4,5,13-TETRAHYDRO-3H,15H-OXEPINO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,15-DIONE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2843