CW-002

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H68N2O12.2Cl
Molecular Weight	984.009
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].[Cl-].COC1=CC2=C(C=C1OC)[C@@H](CC3=CC(OC)=C(OC)C=C3)[N@+](C)(CCCOC(=O)\C=C\C(=O)OCCC[N@+]4(C)CCC5=C(C=C(OC)C(OC)=C5)[C@H]4CC6=CC(OC)=C(OC)C=C6)CC2

InChI

InChIKey=IYZUXHKMJVZESR-VLTLDMHKSA-L

InChI=1S/C52H68N2O12.2ClH/c1-53(23-19-37-31-47(61-7)49(63-9)33-39(37)41(53)27-35-13-15-43(57-3)45(29-35)59-5)21-11-25-65-51(55)17-18-52(56)66-26-12-22-54(2)24-20-38-32-48(62-8)50(64-10)34-40(38)42(54)28-36-14-16-44(58-4)46(30-36)60-6;;/h13-18,29-34,41-42H,11-12,19-28H2,1-10H3;2*1H/q+2;;/p-2/b18-17+;;/t41-,42-,53-,54-;;/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	C52H68N2O12
Molecular Weight	913.1025
Charge	2
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	2 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:50:19 UTC 2023` Edited by `admin` on `Sat Dec 16 11:50:19 UTC 2023`
Record UNII	8LQM0D3O3C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CW-002

Code

English

NB 1025-68

Code

English

AV002

Code

English

CW002

Code

English

Code System Code Type Description

PUBCHEM

24986999

Created by admin on Sat Dec 16 11:50:19 UTC 2023 , Edited by admin on Sat Dec 16 11:50:19 UTC 2023

PRIMARY

FDA UNII

8LQM0D3O3C

Created by admin on Sat Dec 16 11:50:19 UTC 2023 , Edited by admin on Sat Dec 16 11:50:19 UTC 2023

PRIMARY

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