8,8''-METHYLENEBIS(6-((DIETHYLAMINO)METHYL)RUTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H82N2O32
Molecular Weight	1403.3408
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8,8''-METHYLENEBIS(6-((DIETHYLAMINO)METHYL)RUTIN

Structure Search

SMILES

CCN(CC)CC1=C(O)C(CC2=C3OC(C4=CC(O)=C(O)C=C4)=C(O[C@@H]5O[C@H](CO[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C3=C(O)C(CN(CC)CC)=C2O)=C7OC(C8=CC(O)=C(O)C=C8)=C(O[C@@H]9O[C@H](CO[C@@H]%10O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%10O)[C@@H](O)[C@H](O)[C@H]9O)C(=O)C7=C1O

InChI

InChIKey=PAKWATCSOHMCCV-JZNQFDOZSA-N

InChI=1S/C65H82N2O32/c1-7-66(8-2)18-28-40(74)26(58-36(42(28)76)46(80)60(56(96-58)24-11-13-30(68)32(70)15-24)98-64-54(88)50(84)44(78)34(94-64)20-90-62-52(86)48(82)38(72)22(5)92-62)17-27-41(75)29(19-67(9-3)10-4)43(77)37-47(81)61(57(97-59(27)37)25-12-14-31(69)33(71)16-25)99-65-55(89)51(85)45(79)35(95-65)21-91-63-53(87)49(83)39(73)23(6)93-63/h11-16,22-23,34-35,38-39,44-45,48-55,62-65,68-79,82-89H,7-10,17-21H2,1-6H3/t22-,23-,34+,35+,38-,39-,44+,45+,48+,49+,50-,51-,52+,53+,54+,55+,62+,63+,64-,65-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C65H82N2O32
Molecular Weight	1403.3408
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:42:12 GMT 2023` Edited by `admin` on `Sat Dec 16 09:42:12 GMT 2023`
Record UNII	Y1KJ5OJ56P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8,8''-METHYLENEBIS(6-((DIETHYLAMINO)METHYL)RUTIN

Common Name

English

Code System Code Type Description

CAS

17307-03-8

Created by admin on Sat Dec 16 09:42:12 GMT 2023 , Edited by admin on Sat Dec 16 09:42:12 GMT 2023

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FDA UNII

Y1KJ5OJ56P

Created by admin on Sat Dec 16 09:42:12 GMT 2023 , Edited by admin on Sat Dec 16 09:42:12 GMT 2023

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PUBCHEM

92135918

Created by admin on Sat Dec 16 09:42:12 GMT 2023 , Edited by admin on Sat Dec 16 09:42:12 GMT 2023

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