7-ETHYL-10-(4-AMINO-1-PIPERIDINO)CARBONYLOXYCAMPTOTHECIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H30N4O6
Molecular Weight	518.561
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-ETHYL-10-(4-AMINO-1-PIPERIDINO)CARBONYLOXYCAMPTOTHECIN

Structure Search

SMILES

CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC5=CC=C(OC(=O)N6CCC(N)CC6)C=C15

InChI

InChIKey=APWFTHDYKJHNEV-NDEPHWFRSA-N

InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H30N4O6
Molecular Weight	518.561
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 13:57:03 UTC 2023` Edited by `admin` on `Sat Dec 16 13:57:03 UTC 2023`
Record UNII	KG4PRF4VUS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-ETHYL-10-(4-AMINO-1-PIPERIDINO)CARBONYLOXYCAMPTOTHECIN

Common Name

English

RPR 132595A

Code

English

NPC (METABOLITE)

Common Name

English

1-PIPERIDINECARBOXYLIC ACID, 4-AMINO-, (4S)-4,11-DIETHYL-3,4,12,14-TETRAHYDRO-4-HYDROXY-3,14-DIOXO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

KG4PRF4VUS

Created by admin on Sat Dec 16 13:57:04 UTC 2023 , Edited by admin on Sat Dec 16 13:57:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID50471908

Created by admin on Sat Dec 16 13:57:04 UTC 2023 , Edited by admin on Sat Dec 16 13:57:04 UTC 2023

PRIMARY

CAS

185304-42-1

Created by admin on Sat Dec 16 13:57:04 UTC 2023 , Edited by admin on Sat Dec 16 13:57:04 UTC 2023

PRIMARY

PUBCHEM

11756356

Created by admin on Sat Dec 16 13:57:04 UTC 2023 , Edited by admin on Sat Dec 16 13:57:04 UTC 2023

PRIMARY

Related Record Type Details

7673326042

IRINOTECAN

PARENT -> METABOLITE INACTIVE

Qualification:

URINE


					V2Q5PG98DR

TOPOTECANCARBOXYLIC ACID

PARENT -> METABOLITE INACTIVE

Comments:

From CYP3A4 exposure