BUTROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H34N4O9
Molecular Weight	450.484
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@@H](O)[C@@H](CO)N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1

InChI

InChIKey=JZNZSKXIEDHOBD-HUUCEWRRSA-N

InChI=1S/C18H34N4O9/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31)/t14-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H34N4O9
Molecular Weight	450.484
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:26:43 GMT 2025` Edited by `admin` on `Mon Mar 31 23:26:43 GMT 2025`
Record UNII	SMG09YI7I8
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BUTROL

Common Name

English

1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, 10-((1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL)-, REL-

Preferred Name

English

1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, 10-(2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL)-, (R*,S*)-(±)-

Systematic Name

English

Code System Code Type Description

CAS

151852-61-8

Created by admin on Mon Mar 31 23:26:43 GMT 2025 , Edited by admin on Mon Mar 31 23:26:43 GMT 2025

PRIMARY

CAS

138168-36-2

Created by admin on Mon Mar 31 23:26:43 GMT 2025 , Edited by admin on Mon Mar 31 23:26:43 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

72058

Created by admin on Mon Mar 31 23:26:43 GMT 2025 , Edited by admin on Mon Mar 31 23:26:43 GMT 2025

PRIMARY

FDA UNII

SMG09YI7I8

Created by admin on Mon Mar 31 23:26:43 GMT 2025 , Edited by admin on Mon Mar 31 23:26:43 GMT 2025

PRIMARY

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