CHOLIC ACID PIPERAZINE (1:1)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H40O5.C4H10N2
Molecular Weight	494.707
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CHOLIC ACID PIPERAZINE (1:1)

Structure Search

SMILES

C1CNCCN1.[H][C@@]2(CC[C@@]3([H])[C@]4([H])[C@H](O)C[C@]5([H])C[C@H](O)CC[C@]5(C)[C@@]4([H])C[C@H](O)[C@]23C)[C@H](C)CCC(O)=O

InChI

InChIKey=GQCPPZBFHGESNJ-TUJRSCDTSA-N

InChI=1S/C24H40O5.C4H10N2/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-2-6-4-3-5-1/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);5-6H,1-4H2/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C24H40O5
Molecular Weight	408.5714
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H10N2
Molecular Weight	86.1356
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:09:21 GMT 2023` Edited by `admin` on `Sat Dec 16 09:09:21 GMT 2023`
Record UNII	JYJ6CRE43U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHOLIC ACID PIPERAZINE (1:1)

Common Name

English

CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3.ALPAH.,5.BETA.,7.ALPHA.,12.ALPHA.)-, COMPD. WITH PIPERAZINE (1:1)

Systematic Name

English

NSC-36819

Code

English

PIPERAZINE, MONO((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXYCHOLAN-24-OATE)

Systematic Name

English

Code System Code Type Description

FDA UNII

JYJ6CRE43U