DOXYLAMINE TANNATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C76H52O46.C17H22N2O
Molecular Weight	1971.5679
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(C)CCOC(C)(C1=CC=CC=C1)C2=CC=CC=N2.OC3=CC(=CC(O)=C3O)C(=O)OC4=CC(=CC(O)=C4O)C(=O)OC[C@H]5O[C@@H](OC(=O)C6=CC(O)=C(O)C(OC(=O)C7=CC(O)=C(O)C(O)=C7)=C6)[C@H](OC(=O)C8=CC(O)=C(O)C(OC(=O)C9=CC(O)=C(O)C(O)=C9)=C8)[C@@H](OC(=O)C%10=CC(O)=C(O)C(OC(=O)C%11=CC(O)=C(O)C(O)=C%11)=C%10)[C@@H]5OC(=O)C%12=CC(O)=C(O)C(OC(=O)C%13=CC(O)=C(O)C(O)=C%13)=C%12

InChI

InChIKey=SVIFKLRMGXDDNO-HBNMXAOGSA-N

InChI=1S/C76H52O46.C17H22N2O/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h1-20,52,63-65,76-101H,21H2;4-12H,13-14H2,1-3H3/t52-,63-,64+,65-,76+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C76H52O46
Molecular Weight	1701.1985
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	3
Optical Activity	UNSPECIFIED

Molecular Formula	C17H22N2O
Molecular Weight	270.3694
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:00:50 GMT 2023` Edited by `admin` on `Sat Dec 16 10:00:50 GMT 2023`
Record UNII	3EZT4RSL2J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOXYLAMINE TANNATE

Common Name

English

TANNINS, COMPDS. WITH N,N-DIMETHYL-2-(1-PHENYL-1-(2-PYRIDINYL)ETHOXY)ETHANAMINE

Systematic Name

English

Code System Code Type Description

CAS

1407-02-9

Created by admin on Sat Dec 16 10:00:50 GMT 2023 , Edited by admin on Sat Dec 16 10:00:50 GMT 2023

PRIMARY

PUBCHEM

16153363

Created by admin on Sat Dec 16 10:00:50 GMT 2023 , Edited by admin on Sat Dec 16 10:00:50 GMT 2023

PRIMARY

FDA UNII

3EZT4RSL2J

Created by admin on Sat Dec 16 10:00:50 GMT 2023 , Edited by admin on Sat Dec 16 10:00:50 GMT 2023

PRIMARY