BMS-317180 PHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H33N7O5.H3O4P
Molecular Weight	561.5258
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.CC(C)(N)C(=O)N[C@H](COCC1=CC=CC=C1)C2=NN=NN2CCOC(=O)NCCCCO

InChI

InChIKey=ZXCYBFDFAWFXDV-UNTBIKODSA-N

InChI=1S/C21H33N7O5.H3O4P/c1-21(2,22)19(30)24-17(15-32-14-16-8-4-3-5-9-16)18-25-26-27-28(18)11-13-33-20(31)23-10-6-7-12-29;1-5(2,3)4/h3-5,8-9,17,29H,6-7,10-15,22H2,1-2H3,(H,23,31)(H,24,30);(H3,1,2,3,4)/t17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	H3O4P
Molecular Weight	97.9952
Charge	0
Count

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

Molecular Formula	C21H33N7O5
Molecular Weight	463.5306
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 `Sat Dec 16 05:00:21 GMT 2023` Edited by `admin` on `Sat Dec 16 05:00:21 GMT 2023`
Record UNII	X6K38B1VJO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-317180 PHOSPHATE

Code

English

CARBAMIC ACID, N-(4-HYDROXYBUTYL)-, 2-(5-((1S)-1-((2-AMINO-2-METHYL-1-OXOPROPYL)AMINO)-2-(PHENYLMETHOXY)ETHYL)-1H-TETRAZOL-1-YL)ETHYL ESTER, PHOSPHATE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

44134294

Created by admin on Sat Dec 16 05:00:21 GMT 2023 , Edited by admin on Sat Dec 16 05:00:21 GMT 2023

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FDA UNII

X6K38B1VJO

Created by admin on Sat Dec 16 05:00:21 GMT 2023 , Edited by admin on Sat Dec 16 05:00:21 GMT 2023

PRIMARY

CAS

1154710-56-1

Created by admin on Sat Dec 16 05:00:21 GMT 2023 , Edited by admin on Sat Dec 16 05:00:21 GMT 2023

PRIMARY

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BMS-317180

PARENT -> SALT/SOLVATE