CLEMIZOLE TANNATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C76H52O46.C19H20ClN3
Molecular Weight	2027.034
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClC1=CC=C(CN2C(CN3CCCC3)=NC4=CC=CC=C24)C=C1.OC5=CC(=CC(O)=C5O)C(=O)OC6=CC(=CC(O)=C6O)C(=O)OC[C@H]7O[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](OC(=O)C%12=CC(O)=C(O)C(OC(=O)C%13=CC(O)=C(O)C(O)=C%13)=C%12)[C@@H]7OC(=O)C%14=CC(O)=C(O)C(OC(=O)C%15=CC(O)=C(O)C(O)=C%15)=C%14

InChI

InChIKey=DNWYYKMMOOQBEK-HBNMXAOGSA-N

InChI=1S/C76H52O46.C19H20ClN3/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;20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-20,52,63-65,76-101H,21H2;1-2,5-10H,3-4,11-14H2/t52-,63-,64+,65-,76+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C19H20ClN3
Molecular Weight	325.835
Charge	0
Count

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

Molecular Formula	C76H52O46
Molecular Weight	1701.1985
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:18:38 GMT 2023` Edited by `admin` on `Fri Dec 15 17:18:38 GMT 2023`
Record UNII	1YB6PAQ37F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLEMIZOLE TANNATE

Common Name

English

Code System Code Type Description

CAS

91082-48-3

Created by admin on Fri Dec 15 17:18:38 GMT 2023 , Edited by admin on Fri Dec 15 17:18:38 GMT 2023

NO STRUCTURE GIVEN

FDA UNII

1YB6PAQ37F

Created by admin on Fri Dec 15 17:18:38 GMT 2023 , Edited by admin on Fri Dec 15 17:18:38 GMT 2023

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PUBCHEM

162623929

Created by admin on Fri Dec 15 17:18:38 GMT 2023 , Edited by admin on Fri Dec 15 17:18:38 GMT 2023

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