NCS-Macropa

Details

Stereochemistry	ACHIRAL
Molecular Formula	C35H43N5O9S
Molecular Weight	709.809
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC(OCCC2=CC=C(C=C2)N=C=S)=CC(CN3CCOCCOCCN(CC4=CC=CC(=N4)C(O)=O)CCOCCOCC3)=N1

InChI

InChIKey=QHYGURIGHVXBBI-UHFFFAOYSA-N

InChI=1S/C35H43N5O9S/c41-34(42)32-3-1-2-29(37-32)24-39-9-14-45-18-20-47-16-11-40(12-17-48-21-19-46-15-10-39)25-30-22-31(23-33(38-30)35(43)44)49-13-8-27-4-6-28(7-5-27)36-26-50/h1-7,22-23H,8-21,24-25H2,(H,41,42)(H,43,44)

HIDE SMILES / InChI

Molecular Formula	C35H43N5O9S
Molecular Weight	709.809
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:06:13 GMT 2025` Edited by `admin` on `Wed Apr 02 16:06:13 GMT 2025`
Record UNII	LWT9DEL9JN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NCS-Macropa

Preferred Name

English

Code System Code Type Description

SMS_ID

300000056697

Created by admin on Wed Apr 02 16:06:13 GMT 2025 , Edited by admin on Wed Apr 02 16:06:13 GMT 2025

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CAS

2417821-30-6

Created by admin on Wed Apr 02 16:06:13 GMT 2025 , Edited by admin on Wed Apr 02 16:06:13 GMT 2025

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PUBCHEM

146607997

Created by admin on Wed Apr 02 16:06:13 GMT 2025 , Edited by admin on Wed Apr 02 16:06:13 GMT 2025

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FDA UNII

LWT9DEL9JN

Created by admin on Wed Apr 02 16:06:13 GMT 2025 , Edited by admin on Wed Apr 02 16:06:13 GMT 2025

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