PHENYLEPHRINE TANNATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C76H52O46.C9H13NO2
Molecular Weight	1868.4035
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC[C@H](O)C1=CC(O)=CC=C1.OC2=CC(=CC(O)=C2O)C(=O)OC3=CC(=CC(O)=C3O)C(=O)OC[C@H]4O[C@@H](OC(=O)C5=CC(O)=C(O)C(OC(=O)C6=CC(O)=C(O)C(O)=C6)=C5)[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]4OC(=O)C%11=CC(O)=C(O)C(OC(=O)C%12=CC(O)=C(O)C(O)=C%12)=C%11

InChI

InChIKey=HXLHQWSMCJUVMM-RVLWPPNGSA-N

InChI=1S/C76H52O46.C9H13NO2/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;1-10-6-9(12)7-3-2-4-8(11)5-7/h1-20,52,63-65,76-101H,21H2;2-5,9-12H,6H2,1H3/t52-,63-,64+,65-,76+;9-/m10/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	0
Optical Activity	UNSPECIFIED

Molecular Formula	C9H13NO2
Molecular Weight	167.205
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:16:06 UTC 2023` Edited by `admin` on `Fri Dec 15 21:16:06 UTC 2023`
Record UNII	DU5ATO7HYP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENYLEPHRINE TANNATE

Common Name

English

PHENYLEPHRINE TANNATE [VANDF]

Common Name

English

PHENYLEPHRINE TANNATE [WHO-DD]

Common Name

English

Code System Code Type Description

FDA UNII

DU5ATO7HYP