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Details

Stereochemistry ACHIRAL
Molecular Formula C33H45N3O8S.H3O4P
Molecular Weight 741.786
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SATAVAPTAN PHOSPHATE

SMILES

OP(O)(O)=O.CCOC1=CC=C2N(C(=O)[C@@]3(CC[C@@H](CC3)OCCN4CCOCC4)C2=C1)S(=O)(=O)C5=C(OC)C=C(C=C5)C(=O)NC(C)(C)C

InChI

InChIKey=VFUAOLYIYUOYQQ-RJAUEWNZSA-N
InChI=1S/C33H45N3O8S.H3O4P/c1-6-43-25-8-9-27-26(22-25)33(13-11-24(12-14-33)44-20-17-35-15-18-42-19-16-35)31(38)36(27)45(39,40)29-10-7-23(21-28(29)41-5)30(37)34-32(2,3)4;1-5(2,3)4/h7-10,21-22,24H,6,11-20H2,1-5H3,(H,34,37);(H3,1,2,3,4)/t24-,33+;

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 C33H45N3O8S
Molecular Weight 643.791
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:04:41 GMT 2023
Edited
by admin
on Fri Dec 15 16:04:41 GMT 2023
Record UNII
EY1272I0W2
Record Status Validated (UNII)
Record Version
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Name Type Language
SATAVAPTAN PHOSPHATE
WHO-DD  
Common Name English
SATAVAPTAN MONOPHOSPHATE
Common Name English
SR121463B
Common Name English
Satavaptan phosphate [WHO-DD]
Common Name English
SR-121463B
Code English
BENZAMIDE, N-(1,1-DIMETHYLETHYL)-4-((CIS-5'-ETHOXY-4-(2-(4-MORPHOLINYL)ETHOXY)-2'-OXOSPIRO(CYCLOHEXANE-1,3'-(3H)INDOL)-1'(2'H)-YL)SULFONYL)-3-METHOXY-, PHOSPHATE (1:1)
Common Name English
SR 121463B
Code English
Code System Code Type Description
EVMPD
SUB37949
Created by admin on Fri Dec 15 16:04:41 GMT 2023 , Edited by admin on Fri Dec 15 16:04:41 GMT 2023
PRIMARY
SMS_ID
100000129258
Created by admin on Fri Dec 15 16:04:41 GMT 2023 , Edited by admin on Fri Dec 15 16:04:41 GMT 2023
PRIMARY
CAS
308145-17-7
Created by admin on Fri Dec 15 16:04:41 GMT 2023 , Edited by admin on Fri Dec 15 16:04:41 GMT 2023
PRIMARY
FDA UNII
EY1272I0W2
Created by admin on Fri Dec 15 16:04:41 GMT 2023 , Edited by admin on Fri Dec 15 16:04:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE