Elomotecan hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H32ClN3O4.ClH
Molecular Weight	558.496
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OLYFGLXPXPABOP-XXIQNXCHSA-N

InChI=1S/C29H32ClN3O4.ClH/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;1H/t29-;/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	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 01:39:33 UTC 2023` Edited by `admin` on `Sat Dec 16 01:39:33 UTC 2023`
Record UNII	5WM1F45I4Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Elomotecan hydrochloride

Common Name

English

BN 80927

Code

English

BN-80927

Code

English

Code System Code Type Description

FDA UNII

5WM1F45I4Y