ULIMORELIN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H39FN4O4.ClH.H2O
Molecular Weight	593.13
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.Cl.C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](CC3=CC=C(F)C=C3)C(=O)NCCCC4=C(O1)C=CC=C4

InChI

InChIKey=ZWIXEQBDJMFCMN-DHHNQDMHSA-N

InChI=1S/C30H39FN4O4.ClH.H2O/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19;;/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36);1H;1H2/t19-,20-,25-,27+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C30H39FN4O4
Molecular Weight	538.6535
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
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 `Fri Dec 15 18:35:18 UTC 2023` Edited by `admin` on `Fri Dec 15 18:35:18 UTC 2023`
Record UNII	662MCS79XH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ULIMORELIN HYDROCHLORIDE

Official Name

English

(2R,5S,8R,11R)-5-CYCLOPROPYL-11-((4-FLUOROPHENYL)METHYL)-2,7,8-TRIMETHYL- 2,3,4,5,7,8,10,11,13,14,15,16-DODECAHYDRO-6H-1,4,7,10,13- BENZOXATETRAAZACYCLOOCTADECINE-6,9,12-TRIONE HYDROCHLORIDE MONOHYDRATE

Systematic Name

English

ULIMORELIN HYDROCHLORIDE MONOHYDRATE

Common Name

English

2H-1,4,7,10,13-BENZOXATETRAAZACYCLOOCTADECINE-6,9,12(3H)-TRIONE, 5-CYCLOPROPYL-11-((4-FLUOROPHENYL)METHYL)-4,5,7,8,10,11,13,14,15,16-DECAHYDRO-2,7,8-TRIMETHYL-, HYDROCHLORIDE, HYDRATE (1:1:1), (2R,5S,8R,11R)-

Common Name

English

Ulimorelin hydrochloride monohydrate [WHO-DD]

Common Name

English

ULIMORELIN HYDROCHLORIDE MONOHYDRATE [MI]

Common Name

English

ULIMORELIN HYDROCHLORIDE [USAN]

Common Name

English

TZP-101

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C78276