BISACODYL TANNEX

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C76H52O46.C22H19NO4
Molecular Weight	2062.589
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(OC(C)=O)C=C2)C3=CC=CC=N3.OC4=CC(=CC(O)=C4O)C(=O)OC5=CC(=CC(O)=C5O)C(=O)OC[C@H]6O[C@@H](OC(=O)C7=CC(O)=C(O)C(OC(=O)C8=CC(O)=C(O)C(O)=C8)=C7)[C@H](OC(=O)C9=CC(O)=C(O)C(OC(=O)C%10=CC(O)=C(O)C(O)=C%10)=C9)[C@@H](OC(=O)C%11=CC(O)=C(O)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)=C%11)[C@@H]6OC(=O)C%13=CC(O)=C(O)C(OC(=O)C%14=CC(O)=C(O)C(O)=C%14)=C%13

InChI

InChIKey=FJSBTGUDRIRATA-HBNMXAOGSA-N

InChI=1S/C76H52O46.C22H19NO4/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;1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h1-20,52,63-65,76-101H,21H2;3-14,22H,1-2H3/t52-,63-,64+,65-,76+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C22H19NO4
Molecular Weight	361.3906
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	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:53:30 UTC 2023` Edited by `admin` on `Fri Dec 15 19:53:30 UTC 2023`
Record UNII	T0I8L1B7J6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BISACODYL TANNEX

Official Name

English

BISACODYL TANNEX [USAN]

Common Name

English

4,4'-(2-PYRIDYLMETHYLENE)DIPHENOL DIACETATE (ESTER) COMPLEX WITH TANNIC ACID

Common Name

English

CLYSODRAST

Brand Name

English

BISACODYL TANNATE

Common Name

English

ER-SOLUBLE COMPLEX OF BISACODYL AND TANNIC ACID. (1) PHENOL, 4,4'-(2-PYRIDINYLMETHYLENE)BIS-, DIACETATE (ESTER), COMPLEX WITH TANNIC ACID

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78276